2-Phenyl-4-carboxythiazole
TL;DR: 2-Phenyl-4-carboxythiazole (CAS 7113-10-2) is a chemical compound with molecular formula C10H7NO2S and molecular weight 205.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1,3-thiazole-4-carboxylic acid
Also Known As: 2-Phenylthiazole-4-carboxylic Acid, 2-phenyl-1,3-thiazole-4-carboxylic acid, 2-Phenyl-4-carboxythiazole, 4-carboxy-2-phenylthiazole, 4-Thiazolecarboxylic acid, 2-phenyl-
| Molecular Formula | C10H7NO2S |
|---|---|
| Molecular Weight | 205.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.01974 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
| Solubility | 28.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 7113-10-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=CS2)C(=O)O |
| InChIKey | IBUSLNJQKLZPNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenyl-4-carboxythiazole (CAS 7113-10-2), with molecular formula C10H7NO2S and molecular weight 205.02 g/mol. IUPAC: 2-phenyl-1,3-thiazole-4-carboxylic acid.
Chemical Property Profile of 2-Phenyl-4-carboxythiazole
Property Insights of 2-Phenyl-4-carboxythiazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-4-carboxythiazole. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenyl-4-carboxythiazole. Following Lipinski's Rule of Five, 2-Phenyl-4-carboxythiazole has 1 hydrogen bond donor(s) and 4 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 2-Phenyl-4-carboxythiazole?
The CAS number of 2-Phenyl-4-carboxythiazole is 7113-10-2.
What is the molecular formula of 2-Phenyl-4-carboxythiazole?
The molecular formula of 2-Phenyl-4-carboxythiazole is C10H7NO2S.
What is the molecular weight of 2-Phenyl-4-carboxythiazole?
The molecular weight of 2-Phenyl-4-carboxythiazole is 205.02 g/mol.
Where can I buy 2-Phenyl-4-carboxythiazole?
You can request a quote for 2-Phenyl-4-carboxythiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-4-carboxythiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-4-carboxythiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.