3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid
TL;DR: 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid (CAS 90945-06-5) is a chemical compound with molecular formula C15H11N3O2S and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid
Also Known As: 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid, 3-((4-(Pyridin-3-yl)thiazol-2-yl)amino)benzoic acid, BAS 00853855, [3-(4-Chloro-phenoxy)-propyl]-methyl-amine, 3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid
| Molecular Formula | C15H11N3O2S |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.0572 |
| Heavy Atoms | 21 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 90945-06-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=NC(=CS2)C3=CN=CC=C3)C(=O)O |
| InChIKey | GYBUNGLVJFAWIE-UHFFFAOYSA-N |
Product Overview
3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid (CAS 90945-06-5), with molecular formula C15H11N3O2S and molecular weight 297.06 g/mol. IUPAC: 3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzoic acid.
Chemical Property Profile of 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid
Property Insights of 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid. Following Lipinski's Rule of Five, 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid has 2 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 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid?
The CAS number of 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid is 90945-06-5.
What is the molecular formula of 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid?
The molecular formula of 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid is C15H11N3O2S.
What is the molecular weight of 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid?
The molecular weight of 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid is 297.06 g/mol.
Where can I buy 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid?
You can request a quote for 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Pyridin-3-yl-thiazol-2-ylamino)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.