Ethyl 1,3-thiazole-4-carboxylate
TL;DR: Ethyl 1,3-thiazole-4-carboxylate (CAS 58420-94-3) is a chemical compound with molecular formula C6H7NO2S and molecular weight 157.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,3-thiazole-4-carboxylate
Also Known As: Ethyl thiazole-4-carboxylate, Ethyl 4-Thiazolecarboxylate, ethyl 1,3-thiazole-4-carboxylate, 4-Carboethoxythiazole, 4-ethoxycarbonyl thiazole
| Molecular Formula | C6H7NO2S |
|---|---|
| Molecular Weight | 157.02 g/mol |
| LogP | 1.3198 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.01974 |
| Heavy Atoms | 10 |
| Complexity | 207.53221 |
Chemical Identifiers
| CAS Number | 58420-94-3 |
|---|---|
| SMILES | CCOC(=O)C1=CSC=N1 |
Product Overview
Ethyl 1,3-thiazole-4-carboxylate (CAS 58420-94-3), with molecular formula C6H7NO2S and molecular weight 157.02 g/mol. IUPAC: ethyl 1,3-thiazole-4-carboxylate.
Chemical Property Profile of Ethyl 1,3-thiazole-4-carboxylate
Property Insights of Ethyl 1,3-thiazole-4-carboxylate
The XLogP value of 1.3198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,3-thiazole-4-carboxylate. With a topological polar surface area (TPSA) of 39.19 Ų, Ethyl 1,3-thiazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1,3-thiazole-4-carboxylate 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 Ethyl 1,3-thiazole-4-carboxylate?
The CAS number of Ethyl 1,3-thiazole-4-carboxylate is 58420-94-3.
What is the molecular formula of Ethyl 1,3-thiazole-4-carboxylate?
The molecular formula of Ethyl 1,3-thiazole-4-carboxylate is C6H7NO2S.
What is the molecular weight of Ethyl 1,3-thiazole-4-carboxylate?
The molecular weight of Ethyl 1,3-thiazole-4-carboxylate is 157.02 g/mol.
Where can I buy Ethyl 1,3-thiazole-4-carboxylate?
You can request a quote for Ethyl 1,3-thiazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,3-thiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,3-thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.