Cas no 103030-10-0 (methyl 2,3-dioxo-2,3-dihydro-1h-indole-7-carboxylate)
methyl 2,3-dioxo-2,3-dihydro-1h-indole-7-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Methyl 2,3-dioxoindoline-7-carboxylate
- 2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylic acid methyl ester
- 2,3-dioxo-indoline-7-carboxylic acid methyl ester
- 7-Methoxycarbonylamino-4-methylcoumarin
- 7-methoxycarbonylisatin
- Carbamic acid,(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-,methyl ester
- methyl (4-methyl-2-oxo-2H-chromen-7-yl)carbamate
- methyl 2,3-dioxoindole-7-carboxylate
- methyl 7-isatincarboxylate
- methyl isatin-7-carboxylate
- Methyl 2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylate
- Methyl2,3-dioxoindoline-7-carboxylate
- methyl 2,3-dioxo-1H-indole-7-carboxylate
- 1H-Indole-7-carboxylic acid, 2,3-dihydro-2,3-dioxo-, methyl ester
- methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate
- CDS1_003893
- CBMicro_017397
- MLS001029555
- DivK1c_004933
- IND060
- 103030-10-0
- SR-01000204592-1
- SB66137
- AB00080736-01
- CCG-6166
- DS-11752
- 5323-55-7
- HMS2810G03
- ALBB-019978
- DB-002104
- MFCD00612499
- AKOS000265842
- CHEMBL1570589
- BKMLLFWFPNUDNF-UHFFFAOYSA-N
- CS-0043118
- DTXSID50908168
- SY083820
- SR-01000204592
- BIM-0017465.P001
- STK862364
- SMR000425002
- SCHEMBL3365625
- PD193258
- methyl 2,3-dioxo-2,3-dihydro-1h-indole-7-carboxylate
-
- MDL: MFCD00612499
- Inchi: 1S/C10H7NO4/c1-15-10(14)6-4-2-3-5-7(6)11-9(13)8(5)12/h2-4H,1H3,(H,11,12,13)
- InChI Key: BKMLLFWFPNUDNF-UHFFFAOYSA-N
- SMILES: O(C)C(C1=CC=CC2C(C(NC=21)=O)=O)=O
Computed Properties
- Exact Mass: 205.03800
- Monoisotopic Mass: 205.03750770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 325
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 72.5
- XLogP3: 0.6
Experimental Properties
- Density: 1.410
- Refractive Index: 1.592
- PSA: 72.47000
- LogP: 0.74600
methyl 2,3-dioxo-2,3-dihydro-1h-indole-7-carboxylate Customs Data
- HS CODE:2933990090
- Customs Data:
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
methyl 2,3-dioxo-2,3-dihydro-1h-indole-7-carboxylate Pricemore >>
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| Alichem | A199007985-5g |
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| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-WE215-1g |
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| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-WE215-100mg |
methyl 2,3-dioxo-2,3-dihydro-1h-indole-7-carboxylate |
103030-10-0 | 97% | 100mg |
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| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-WE215-250mg |
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| Chemenu | CM149183-5g |
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103030-10-0 | 95% | 5g |
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methyl 2,3-dioxo-2,3-dihydro-1h-indole-7-carboxylate Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
Additional information on methyl 2,3-dioxo-2,3-dihydro-1h-indole-7-carboxylate
Methyl 2,3-Dioxo-2,3-Dihydro-1H-Indole-7-Carboxylate (CAS No. 103030-10-0): A Comprehensive Overview
The compound methyl 2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylate (CAS No. 103030-10-0) is a significant molecule in the field of organic chemistry and pharmacology. This compound belongs to the class of indole derivatives, which are widely studied for their diverse biological activities and applications in drug discovery. The indole ring system is a fundamental structure in many natural products and synthetic compounds, making it a focal point for research in medicinal chemistry.
Recent advancements in synthetic methodologies have enabled the efficient synthesis of methyl 2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylate. Researchers have explored various strategies to optimize its production, including microwave-assisted synthesis and catalytic processes. These methods not only enhance the yield but also reduce the environmental footprint of the manufacturing process. The carboxylate group at position 7 of the indole ring plays a crucial role in determining the compound's reactivity and bioavailability.
One of the most promising applications of methyl 2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylate lies in its potential as a lead compound for drug development. Studies have demonstrated its ability to modulate key biological targets associated with diseases such as cancer and neurodegenerative disorders. For instance, research has shown that this compound exhibits selective inhibition against certain kinases involved in cellular signaling pathways. This property makes it a valuable candidate for designing targeted therapies with high specificity.
In addition to its therapeutic potential, methyl 2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylate has been investigated for its role in chemical biology. Scientists have utilized this compound as a probe to study complex biological systems and unravel intricate molecular interactions. Its unique structure allows it to serve as a versatile building block in the construction of more complex molecules with enhanced functionality.
The structural features of methyl 2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylate contribute significantly to its stability and reactivity. The presence of the dioxo group at positions 2 and 3 introduces rigidity into the molecule while maintaining its flexibility for interactions with biological targets. This balance is essential for achieving optimal pharmacokinetic properties such as absorption, distribution, metabolism, and excretion (ADME).
Moreover, computational studies have provided deeper insights into the molecular dynamics of methyl 2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylate. Advanced modeling techniques have been employed to predict its binding affinity to various proteins and enzymes. These computational approaches complement experimental studies by accelerating the discovery process and reducing costs associated with trial-and-error methods.
In conclusion, methyl 2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylate (CAS No. 103030-10-0) stands out as a critical molecule with multifaceted applications in chemistry and biology. Its structural uniqueness and versatile properties make it an invaluable tool for researchers across disciplines. As ongoing research continues to uncover new aspects of this compound's potential, it is poised to play an increasingly important role in advancing scientific knowledge and therapeutic innovation.
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