Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate
TL;DR: Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate (CAS 68301-50-8) is a chemical compound with molecular formula C12H11N3O4S and molecular weight 293.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate
Also Known As: ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate, 5-Thiazolecarboxylic acid, 2-amino-4-(4-nitrophenyl)-, ethyl ester, ethyl 2-amino-4-(4-nitrophenyl)thiazole-5-carboxylate, ethyl 2-amino-4-p-nitrophenyl-5-thiazolecarboxylate, 2-AMINO-4- -5-THIAZOLECARBOXYLICACIDETHYLESTER
| Molecular Formula | C12H11N3O4S |
|---|---|
| Molecular Weight | 293.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.04703 |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 68301-50-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | XQZQJOZWHWHSDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate (CAS 68301-50-8), with molecular formula C12H11N3O4S and molecular weight 293.05 g/mol. IUPAC: ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate.
Chemical Property Profile of Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate
Property Insights of Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-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-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate?
The CAS number of Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate is 68301-50-8.
What is the molecular formula of Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate?
The molecular formula of Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate is C12H11N3O4S.
What is the molecular weight of Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate?
The molecular weight of Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate is 293.05 g/mol.
Where can I buy Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate?
You can request a quote for Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-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-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.