2-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester
TL;DR: 2-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester (CAS 89694-92-8) is a chemical compound with molecular formula C7H8ClNO4S2 and molecular weight 268.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chlorosulfonyl-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-(chlorosulfonyl)-4-methyl-1,3-thiazole-5-carboxylate, Ethyl 2-(chlorosulfonyl)-4-methylthiazole-5-carboxylate, 2381AF, 2-CHLOROSULFONYL-4-METHYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER, Ethyl 2-chlorosulfonyl-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C7H8ClNO4S2 |
|---|---|
| Molecular Weight | 268.96 g/mol |
| LogP | 1.55572 |
| Topological Polar Surface Area | 73.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.9583 |
| Heavy Atoms | 15 |
| Complexity | 479.17966 |
Chemical Identifiers
| CAS Number | 89694-92-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)S(=O)(=O)Cl)C |
Product Overview
2-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester (CAS 89694-92-8), with molecular formula C7H8ClNO4S2 and molecular weight 268.96 g/mol. IUPAC: ethyl 2-chlorosulfonyl-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of 2-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester
Property Insights of 2-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester
The XLogP value of 1.55572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester. The TPSA of 73.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 2-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester has 0 hydrogen bond donor(s) and 6 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-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester?
The CAS number of 2-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester is 89694-92-8.
What is the molecular formula of 2-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester?
The molecular formula of 2-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester is C7H8ClNO4S2.
What is the molecular weight of 2-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester?
The molecular weight of 2-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester is 268.96 g/mol.
Where can I buy 2-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester?
You can request a quote for 2-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic 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-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorosulfonyl-4-methyl-thiazole-5-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.