![2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester structure](/static/products/4766/476643-63-7.webp)
2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester
TL;DR: 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester (CAS 476643-63-7) is a chemical compound with molecular formula C13H13ClN2O3S2 and molecular weight 344.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-chlorothiophene-2-carbonyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate
Also Known As: 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester, ethyl 2-(5-chlorothiophene-2-carbonyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate, ethyl (2Z)-2-[(5-chlorothiophene-2-carbonyl)imino]-3,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carboxylate, (Z)-ethyl 2-((5-chlorothiophene-2-carbonyl)imino)-3,4-dimethyl-2,3-dihydrothiazole-5-carboxylate, ethyl (Z)-2-(5-chloro-2-thenoylimino)-3-methyl-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
| Molecular Formula | C13H13ClN2O3S2 |
|---|---|
| Molecular Weight | 344.01 g/mol |
| LogP | 3.02772 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.0056 |
| Heavy Atoms | 21 |
| Complexity | 757.7997 |
Chemical Identifiers
| CAS Number | 476643-63-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=NC(=O)C2=CC=C(S2)Cl)S1)C)C |
Product Overview
2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester (CAS 476643-63-7), with molecular formula C13H13ClN2O3S2 and molecular weight 344.01 g/mol. IUPAC: ethyl 2-(5-chlorothiophene-2-carbonyl)imino-3,4-dimethyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester
Property Insights of 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester
The XLogP value of 3.02772 indicates that 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester. Following Lipinski's Rule of Five, 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester?
The CAS number of 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester is 476643-63-7.
What is the molecular formula of 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester?
The molecular formula of 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester is C13H13ClN2O3S2.
What is the molecular weight of 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester?
The molecular weight of 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester is 344.01 g/mol.
Where can I buy 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester?
You can request a quote for 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.