Cas no 57238-76-3 (5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole)
5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Oxadiazole,5-(chloromethyl)-3-(4-methoxyphenyl)-
- 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
- 5-Chloromethyl-3-(4-methoxyphenyl)-[1,2,4] oxadiazole
- 3-(4-methoxyphenyl)-5-(chloromethyl)-1,2,4-oxadiazole
- 5-Chlormethyl-3-<2-methoxy-phenyl>-1,2,4-oxadiazol
- 5-chloromethyl-3-(4-methoxy-phenyl)-[1,2,4]oxadiazole
- AB07372
- AM804061
- SR-01000064579-1
- AKOS000111835
- SCHEMBL1220782
- BB 0242356
- 57238-76-3
- DTXSID80353147
- SR-01000064579
- F2147-0859
- EN300-12257
- FT-0640446
- DNEALSFRYSYSDL-UHFFFAOYSA-N
- 5-Chloromethyl-3-(4-methoxyphenyl)-[1,2,4]oxadiazole
- CS-10460
- Z57493997
- SY081396
- MFCD00831581
- 5-Chloromethyl-3-(4-methoxy-phenyl)-[1,2,4] oxadiazole
- CS-0039139
- 1,2,4-OXADIAZOLE, 5-(CHLOROMETHYL)-3-(4-METHOXYPHENYL)-
- DB-053024
- STK144097
- ALBB-019896
-
- MDL： MFCD00831581
- Inchi： 1S/C10H9ClN2O2/c1-14-8-4-2-7(3-5-8)10-12-9(6-11)15-13-10/h2-5H,6H2,1H3
- InChI Key： DNEALSFRYSYSDL-UHFFFAOYSA-N
- SMILES： ClCC1=NC(C2C=CC(=CC=2)OC)=NO1
Computed Properties
- Exact Mass: 224.03500
- Monoisotopic Mass: 224.035255
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 198
- 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: 48.2
- XLogP3: 2.2
Experimental Properties
- Density: 1.278
- Melting Point: 52 °C
- Boiling Point: 354.9 °C at 760 mmHg
- Flash Point: 168.4 °C
- Refractive Index: 1.547
- PSA: 48.15000
- LogP: 2.48400
5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole Security Information
- Safety Instruction： S26-S37/39
-
Hazardous Material Identification：
- HazardClass：IRRITANT
- Risk Phrases：R36/37/38
- Safety Term：S26;S37/39
5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole Customs Data
- HS CODE：2934999090
- Customs Data：
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. 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
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| ChemScence | CS-0039139-1g |
5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole |
57238-76-3 | 1g |
$148.0 | 2022-04-27 | ||
| ChemScence | CS-0039139-5g |
5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole |
57238-76-3 | 5g |
$680.0 | 2021-09-02 | ||
| TRC | C650505-25mg |
5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole |
57238-76-3 | 25mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C650505-50mg |
5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole |
57238-76-3 | 50mg |
$ 65.00 | 2022-06-06 | ||
| TRC | C650505-250mg |
5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole |
57238-76-3 | 250mg |
$ 135.00 | 2022-06-06 | ||
| Fluorochem | 047461-250mg |
5-Chloromethyl-3-(4-methoxyphenyl)-[1,2,4]oxadiazole |
57238-76-3 | 95% | 250mg |
￡45.00 | 2022-03-01 | |
| Fluorochem | 047461-1g |
5-Chloromethyl-3-(4-methoxyphenyl)-[1,2,4]oxadiazole |
57238-76-3 | 95% | 1g |
￡112.00 | 2022-03-01 | |
| Fluorochem | 047461-2.5g |
5-Chloromethyl-3-(4-methoxyphenyl)-[1,2,4]oxadiazole |
57238-76-3 | 95% | 2.5g |
￡250.00 | 2022-03-01 | |
| Fluorochem | 047461-10g |
5-Chloromethyl-3-(4-methoxyphenyl)-[1,2,4]oxadiazole |
57238-76-3 | 95% | 10g |
￡882.00 | 2022-03-01 | |
| Apollo Scientific | OR110030-250mg |
5-(Chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole |
57238-76-3 | 250mg |
￡58.00 | 2025-02-19 |
5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
Additional information on 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
Recent Advances in the Study of 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CAS: 57238-76-3)
The compound 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CAS: 57238-76-3) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This heterocyclic compound, characterized by its 1,2,4-oxadiazole core, has shown promising potential in various therapeutic applications, particularly as a building block for the synthesis of bioactive molecules. Recent studies have focused on its role in drug discovery, highlighting its utility in the development of novel antimicrobial, anticancer, and anti-inflammatory agents.
A study published in the Journal of Medicinal Chemistry (2023) explored the antimicrobial properties of derivatives synthesized from 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole. The research demonstrated that these derivatives exhibit potent activity against a range of Gram-positive and Gram-negative bacteria, including methicillin-resistant Staphylococcus aureus (MRSA). The mechanism of action was attributed to the inhibition of bacterial cell wall synthesis, making these compounds promising candidates for addressing antibiotic resistance.
In the context of anticancer research, a recent paper in Bioorganic & Medicinal Chemistry Letters (2024) investigated the compound's potential as a scaffold for designing kinase inhibitors. The study revealed that modifications to the chloromethyl group and the methoxyphenyl moiety could enhance selectivity toward specific cancer-related kinases, such as EGFR and VEGFR. These findings open new avenues for the development of targeted therapies for cancers with high unmet medical needs.
Another area of interest is the compound's application in anti-inflammatory drug development. A 2023 study in European Journal of Medicinal Chemistry reported that 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole derivatives could modulate the NF-κB signaling pathway, thereby reducing the production of pro-inflammatory cytokines. This suggests potential applications in treating chronic inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease.
From a synthetic chemistry perspective, recent advancements have focused on optimizing the production and purification of 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole. A 2024 publication in Organic Process Research & Development highlighted a novel, scalable synthesis route that improves yield and reduces environmental impact. This development is critical for facilitating large-scale production and further pharmacological evaluation.
In conclusion, 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CAS: 57238-76-3) represents a versatile and valuable compound in modern drug discovery. Its diverse biological activities and synthetic accessibility make it a focal point for ongoing research. Future studies are expected to explore its potential in combination therapies and its pharmacokinetic properties to accelerate its transition from bench to bedside.
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