Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, bromide
TL;DR: Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, bromide (CAS 1174863-29-6) is a chemical compound with molecular formula C8H9BrN2O2S and molecular weight 275.96 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;hydrobromide
Also Known As: ethyl 2-(cyanomethyl)thiazole-4-carboxylate hydro, Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate Hydrobromide, ethyl 2-(cyanomethyl)thiazole-4-carboxylate hydrobromide, F1190-0295, ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, bromide
| Molecular Formula | C8H9BrN2O2S |
|---|---|
| Molecular Weight | 275.96 g/mol |
| LogP | 1.96378 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.95682 |
| Heavy Atoms | 14 |
| Complexity | 345.35562 |
Chemical Identifiers
| CAS Number | 1174863-29-6 |
|---|---|
| SMILES | CCOC(=O)C1=CSC(=N1)CC#N.Br |
Product Overview
Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, bromide (CAS 1174863-29-6), with molecular formula C8H9BrN2O2S and molecular weight 275.96 g/mol. IUPAC: ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate;hydrobromide.
Chemical Property Profile of Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, bromide
Property Insights of Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, bromide
The XLogP value of 1.96378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, bromide. 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, bromide. Following Lipinski's Rule of Five, Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, bromide 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, bromide?
The CAS number of Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, bromide is 1174863-29-6.
What is the molecular formula of Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, bromide?
The molecular formula of Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, bromide is C8H9BrN2O2S.
What is the molecular weight of Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, bromide?
The molecular weight of Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, bromide is 275.96 g/mol.
Where can I buy Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, bromide?
You can request a quote for Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, bromide 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, bromide?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(cyanomethyl)-1,3-thiazole-4-carboxylate, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.