5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester
TL;DR: 5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester (CAS 7255-95-0) is a chemical compound with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate
Also Known As: ChemDiv1_000522, ethyl 4-amino-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate, ZERO/008129, ethyl 4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate, BAS 00883072
| Molecular Formula | C12H12N2O2S2 |
|---|---|
| Molecular Weight | 280.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.03403 |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 7255-95-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)S1)C2=CC=CC=C2)N |
| InChIKey | BBGRRZHUVITJLE-UHFFFAOYSA-N |
Product Overview
5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester (CAS 7255-95-0), with molecular formula C12H12N2O2S2 and molecular weight 280.03 g/mol. IUPAC: ethyl 4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylate.
Chemical Property Profile of 5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester
Property Insights of 5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester
The XLogP value of 3.1 indicates that 5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester. Following Lipinski's Rule of Five, 5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester has 1 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 5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester?
The CAS number of 5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester is 7255-95-0.
What is the molecular formula of 5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester?
The molecular formula of 5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester is C12H12N2O2S2.
What is the molecular weight of 5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester?
The molecular weight of 5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester is 280.03 g/mol.
Where can I buy 5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester?
You can request a quote for 5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Thiazolecarboxylic acid, 4-amino-2,3-dihydro-3-phenyl-2-thioxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.