Cas no 62536-94-1 (4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide)
4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide Chemical and Physical Properties
Names and Identifiers
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- Benzenecarboximidamide, N-hydroxy-4-(phenylmethoxy)-
- N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
- 62536-94-1
- DTXSID70383938
- 4-(benzyloxy)-N-hydroxybenzene-1-carboximidamide
- SCHEMBL7301072
- Maybridge1_000876
- 4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide
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- MDL: MFCD03885070
- Inchi: 1S/C14H14N2O2/c15-14(16-17)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H2,15,16)
- InChI Key: QBOOJKVECPVATQ-UHFFFAOYSA-N
- SMILES: O(C1C=CC(C(=NO)N)=CC=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 242.10562
- Monoisotopic Mass: 242.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 267
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.5
- Topological Polar Surface Area: 67.8?2
Experimental Properties
- PSA: 65.34
4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| ChemScence | CS-0117829-1g |
4-(Benzyloxy)-N-hydroxybenzimidamide |
62536-94-1 | 1g |
$226.0 | 2022-04-26 | ||
| TRC | B704663-25mg |
4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide |
62536-94-1 | 25mg |
$ 50.00 | 2022-06-01 | ||
| TRC | B704663-50mg |
4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide |
62536-94-1 | 50mg |
$ 70.00 | 2022-06-01 | ||
| TRC | B704663-250mg |
4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide |
62536-94-1 | 250mg |
$ 250.00 | 2022-06-01 | ||
| abcr | AB373762-1g |
4-(Benzyloxy)-N'-hydroxybenzenecarboximidamide; . |
62536-94-1 | 1g |
€436.00 | 2025-04-17 | ||
| abcr | AB373762-5g |
4-(Benzyloxy)-N'-hydroxybenzenecarboximidamide; . |
62536-94-1 | 5g |
€1130.50 | 2025-04-17 | ||
| abcr | AB373762-10g |
4-(Benzyloxy)-N'-hydroxybenzenecarboximidamide; . |
62536-94-1 | 10g |
€1642.00 | 2025-04-17 | ||
| Enamine | EN300-55640-0.05g |
4-(benzyloxy)-N'-hydroxybenzene-1-carboximidamide |
62536-94-1 | 95.0% | 0.05g |
$42.0 | 2025-02-20 | |
| Enamine | EN300-55640-0.1g |
4-(benzyloxy)-N'-hydroxybenzene-1-carboximidamide |
62536-94-1 | 95.0% | 0.1g |
$66.0 | 2025-02-20 | |
| Enamine | EN300-55640-0.25g |
4-(benzyloxy)-N'-hydroxybenzene-1-carboximidamide |
62536-94-1 | 95.0% | 0.25g |
$92.0 | 2025-02-20 |
4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
Additional information on 4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide
Professional Introduction to 4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide (CAS No: 62536-94-1)
4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide, identified by the Chemical Abstracts Service Number (CAS No) 62536-94-1, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology. This compound belongs to the class of benzyloxy-substituted carboximidamides, a structural motif known for its versatile biological activities and potential therapeutic applications. The unique combination of functional groups in its molecular structure—specifically the benzyloxy and hydroxyl substituents attached to a benzene ring, with a carboximidamide moiety at the other end—makes it an intriguing candidate for further exploration in drug discovery and development.
The< strong>benzyloxy group, characterized by its electron-donating properties, can influence the electronic distribution and reactivity of the molecule. This feature is particularly relevant in medicinal chemistry, where such groups are often employed to modulate binding affinity and metabolic stability. In contrast, the< strong>hydroxybenzene-1-carboximidamide moiety introduces both hydrophilic and hydrophobic interactions, which can be critical for optimizing solubility and membrane permeability. These characteristics collectively contribute to the compound's potential as a pharmacophore in designing novel therapeutic agents.
In recent years, there has been a surge in research focused on developing novel imidamide derivatives due to their demonstrated efficacy in various biological pathways. Specifically, carboximidamides have been explored for their roles as intermediates in synthesizing bioactive molecules targeting neurological disorders, inflammatory conditions, and infectious diseases. The presence of both< strong>benzyloxy and hydroxyl groups in< strong>4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide suggests that it may exhibit multiple modes of interaction with biological targets, enhancing its pharmacological profile.
The< strong>hydroxybenzene-1-carboximidamide moiety is particularly noteworthy for its potential to engage in hydrogen bonding interactions, a key factor in ligand-receptor binding affinity. This feature is especially relevant in the context of designing small-molecule inhibitors or agonists that require precise spatial orientation within biological macromolecules. Additionally, the benzyloxy substituent can serve as a steric anchor, influencing the conformational flexibility of the molecule and potentially enhancing its binding stability.
The synthesis of< strong>4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide involves multi-step organic transformations that highlight the compound's synthetic accessibility while maintaining high purity standards. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions and nucleophilic substitution strategies, have been employed to construct the desired molecular framework efficiently. These synthetic approaches not only underscore the compound's feasibility for large-scale production but also demonstrate the growing sophistication of modern organic synthesis techniques.
Evaluation of< strong>4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide's pharmacological properties has revealed promising results in preclinical studies. Its interaction with various biological targets suggests potential applications in modulating enzyme activity and signal transduction pathways. For instance, preliminary data indicate that this compound may exhibit inhibitory effects on certain kinases or proteases involved in pathological processes. Such findings align with current trends in drug discovery, where targeting key molecular mechanisms is crucial for developing effective therapeutics.
The< strong>benzyloxy-containing fragment of< strong>4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide has been extensively studied for its role in enhancing drug-like properties such as lipophilicity and metabolic stability. These attributes are critical for ensuring that a drug candidate remains bioavailable throughout its intended biological action. Moreover, the hydroxyl group provides an additional site for chemical modification, allowing researchers to fine-tune the compound's pharmacokinetic profile further. Such flexibility is invaluable in optimizing lead compounds for clinical translation.
In conclusion, 4-(Benzyloxy)-N'-hydroxybenzene-1-carboximidamide(CAS No: 62536-94-1) represents a compelling example of how structural innovation can lead to novel pharmacological entities. Its unique combination of functional groups positions it as a promising candidate for further investigation across multiple therapeutic areas. As research continues to uncover new biological targets and mechanisms, compounds like this one are poised to play a significant role in shaping future treatments for human diseases.
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