4-(2-Amino-1,3-thiazol-4-yl)benzoic acid
TL;DR: 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid (CAS 889939-83-7) is a chemical compound with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-amino-1,3-thiazol-4-yl)benzoic acid
Also Known As: 4-(2-amino-4-thiazolyl)Benzoic acid, 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid, 4-(2-Amino-thiazol-4-yl)-benzoic acid, 4-(2-Aminothiazol-4-yl)benzoic acid, Benzoic acid, 4-(2-amino-4-thiazolyl)-
| Molecular Formula | C10H8N2O2S |
|---|---|
| Molecular Weight | 220.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.03065 |
| Heavy Atoms | 15 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 889939-83-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CSC(=N2)N)C(=O)O |
| InChIKey | DGZPYJBDYGAEBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Amino-1,3-thiazol-4-yl)benzoic acid (CAS 889939-83-7), with molecular formula C10H8N2O2S and molecular weight 220.03 g/mol. IUPAC: 4-(2-amino-1,3-thiazol-4-yl)benzoic acid.
Chemical Property Profile of 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid
Property Insights of 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid has 2 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 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid?
The CAS number of 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid is 889939-83-7.
What is the molecular formula of 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid?
The molecular formula of 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid is C10H8N2O2S.
What is the molecular weight of 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid?
The molecular weight of 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid is 220.03 g/mol.
Where can I buy 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid?
You can request a quote for 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Amino-1,3-thiazol-4-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.