2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester
TL;DR: 2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester (CAS 20287-70-1) is a chemical compound with molecular formula C13H12ClNO2S and molecular weight 281.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate
Also Known As: Ethyl 2-(2-(4-chlorophenyl)thiazol-4-yl)acetate, Ethyl fenclozic acid, Maybridge3_006832, ethyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate, 2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester
| Molecular Formula | C13H12ClNO2S |
|---|---|
| Molecular Weight | 281.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.02774 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 20287-70-1 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=N1)C2=CC=C(C=C2)Cl |
| InChIKey | VTDNBASRFGRNAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester (CAS 20287-70-1), with molecular formula C13H12ClNO2S and molecular weight 281.03 g/mol. IUPAC: ethyl 2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetate.
Chemical Property Profile of 2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester
Property Insights of 2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester
The XLogP value of 3.4 indicates that 2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester has 0 hydrogen bond donor(s) and 4 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-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester?
The CAS number of 2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester is 20287-70-1.
What is the molecular formula of 2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester?
The molecular formula of 2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester is C13H12ClNO2S.
What is the molecular weight of 2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester?
The molecular weight of 2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester is 281.03 g/mol.
Where can I buy 2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester?
You can request a quote for 2-(4-Chlorophenyl)-4-thiazoleacetic 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-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-4-thiazoleacetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.