Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate
TL;DR: Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate (CAS 59142-20-0) is a chemical compound with molecular formula C8H8N2O2S and molecular weight 196.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate
Also Known As: ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, ethyl 2-(cyanomethyl)thiazole-4-carboxylate, ethyl2-(cyanomethyl)-1,3-thiazole-4-carboxylate, Ethyl 2-(carbonitrilmethyl)thiazole-4-carboxylate, 4-Thiazolecarboxylic acid, 2-(cyanomethyl)-, ethyl ester
| Molecular Formula | C8H8N2O2S |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | 1.38588 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.03065 |
| Heavy Atoms | 13 |
| Complexity | 340.1584 |
Chemical Identifiers
| CAS Number | 59142-20-0 |
|---|---|
| SMILES | CCOC(=O)C1=CSC(=N1)CC#N |
Product Overview
Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate (CAS 59142-20-0), with molecular formula C8H8N2O2S and molecular weight 196.03 g/mol. IUPAC: ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate
Property Insights of Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate
The XLogP value of 1.38588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate 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 Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate?
The CAS number of Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate is 59142-20-0.
What is the molecular formula of Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate?
The molecular formula of Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate is C8H8N2O2S.
What is the molecular weight of Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate?
The molecular weight of Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate is 196.03 g/mol.
Where can I buy Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate?
You can request a quote for Ethyl 2-(cyanomethyl)-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 2-(cyanomethyl)-1,3-thiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.