4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester
TL;DR: 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester (CAS 247242-54-2) is a chemical compound with molecular formula C12H10N2O5S and molecular weight 294.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-nitrophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate
Also Known As: 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester, Ethyl 4-(3-nitrophenyl)-2-oxo-2,3-dihydrothiazole-5-carboxylate, ethyl 4-(3-nitrophenyl)-2-oxo-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 4-(3-nitrophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate, ethyl 4-(3-nitrophenyl)-2-oxo-3H-thiazole-5-carboxylate
| Molecular Formula | C12H10N2O5S |
|---|---|
| Molecular Weight | 294.03 g/mol |
| LogP | 2.1883 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.03104 |
| Heavy Atoms | 20 |
| Complexity | 718.63293 |
Chemical Identifiers
| CAS Number | 247242-54-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)S1)C2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester (CAS 247242-54-2), with molecular formula C12H10N2O5S and molecular weight 294.03 g/mol. IUPAC: ethyl 4-(3-nitrophenyl)-2-oxo-3H-1,3-thiazole-5-carboxylate.
Chemical Property Profile of 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester
Property Insights of 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester
The XLogP value of 2.1883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester. The TPSA of 102.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester has 1 hydrogen bond donor(s) and 6 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 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester?
The CAS number of 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester is 247242-54-2.
What is the molecular formula of 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester?
The molecular formula of 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester is C12H10N2O5S.
What is the molecular weight of 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester?
The molecular weight of 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester is 294.03 g/mol.
Where can I buy 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester?
You can request a quote for 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic 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 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Nitro-phenyl)-2-oxo-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.