3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid
TL;DR: 3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid (CAS 443747-52-2) is a chemical compound with molecular formula C16H11N3O4S and molecular weight 341.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzoic acid
Also Known As: CK2alpha-IN-1, 3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid, 3-{[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino}benzoic acid, 3-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzoic Acid, 3-[[4-(3-nitrophenyl)thiazol-2-yl]amino]benzoic acid
| Molecular Formula | C16H11N3O4S |
|---|---|
| Molecular Weight | 341.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.04703 |
| Heavy Atoms | 24 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 443747-52-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)NC3=CC=CC(=C3)C(=O)O |
| InChIKey | KYJUPOUIAXBNDS-UHFFFAOYSA-N |
Product Overview
3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid (CAS 443747-52-2), with molecular formula C16H11N3O4S and molecular weight 341.05 g/mol. IUPAC: 3-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]benzoic acid.
Chemical Property Profile of 3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid
Property Insights of 3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid
The XLogP value of 3.8 indicates that 3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid. Following Lipinski's Rule of Five, 3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid has 2 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 3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid?
The CAS number of 3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid is 443747-52-2.
What is the molecular formula of 3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid?
The molecular formula of 3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid is C16H11N3O4S.
What is the molecular weight of 3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid?
The molecular weight of 3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid is 341.05 g/mol.
Where can I buy 3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid?
You can request a quote for 3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)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-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-(3-Nitrophenyl)thiazol-2-yl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.