Ethyl 2-(3-nitrobenzamido)thiazole-4-carboxylate
TL;DR: Ethyl 2-(3-nitrobenzamido)thiazole-4-carboxylate (CAS 324538-44-5) is a chemical compound with molecular formula C13H11N3O5S and molecular weight 321.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-nitrobenzoyl)amino]-1,3-thiazole-4-carboxylate
Also Known As: ethyl 2-(3-nitrobenzamido)thiazole-4-carboxylate, ethyl 2-(3-nitrobenzamido)-1,3-thiazole-4-carboxylate, ethyl 2-[(3-nitrobenzoyl)amino]-1,3-thiazole-4-carboxylate, F0060-0021
| Molecular Formula | C13H11N3O5S |
|---|---|
| Molecular Weight | 321.04 g/mol |
| LogP | 2.4803 |
| Topological Polar Surface Area | 111.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.04193 |
| Heavy Atoms | 22 |
| Complexity | 727.9706 |
Chemical Identifiers
| CAS Number | 324538-44-5 |
|---|---|
| SMILES | CCOC(=O)C1=CSC(=N1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
Ethyl 2-(3-nitrobenzamido)thiazole-4-carboxylate (CAS 324538-44-5), with molecular formula C13H11N3O5S and molecular weight 321.04 g/mol. IUPAC: ethyl 2-[(3-nitrobenzoyl)amino]-1,3-thiazole-4-carboxylate.
Chemical Property Profile of Ethyl 2-(3-nitrobenzamido)thiazole-4-carboxylate
Property Insights of Ethyl 2-(3-nitrobenzamido)thiazole-4-carboxylate
The XLogP value of 2.4803 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-nitrobenzamido)thiazole-4-carboxylate. The TPSA of 111.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-nitrobenzamido)thiazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(3-nitrobenzamido)thiazole-4-carboxylate has 1 hydrogen bond donor(s) and 7 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-(3-nitrobenzamido)thiazole-4-carboxylate?
The CAS number of Ethyl 2-(3-nitrobenzamido)thiazole-4-carboxylate is 324538-44-5.
What is the molecular formula of Ethyl 2-(3-nitrobenzamido)thiazole-4-carboxylate?
The molecular formula of Ethyl 2-(3-nitrobenzamido)thiazole-4-carboxylate is C13H11N3O5S.
What is the molecular weight of Ethyl 2-(3-nitrobenzamido)thiazole-4-carboxylate?
The molecular weight of Ethyl 2-(3-nitrobenzamido)thiazole-4-carboxylate is 321.04 g/mol.
Where can I buy Ethyl 2-(3-nitrobenzamido)thiazole-4-carboxylate?
You can request a quote for Ethyl 2-(3-nitrobenzamido)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-(3-nitrobenzamido)thiazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-nitrobenzamido)thiazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.