![2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid structure](/static/products/4052/405278-63-9.webp)
2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid
TL;DR: 2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid (CAS 405278-63-9) is a chemical compound with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-pyrazole-5-carbonylamino)benzoic acid
Also Known As: 2-(1H-pyrazole-3-amido)benzoic acid, ZERO/003130, 2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid, 2-(1H-pyrazole-3-amido)benzoicacid, 2-(1H-pyrazole-5-carbonylamino)benzoic acid
| Molecular Formula | C11H9N3O3 |
|---|---|
| Molecular Weight | 231.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.06439 |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 405278-63-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC=NN2 |
| InChIKey | HLSFGRIYROGCTO-UHFFFAOYSA-N |
Product Overview
2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid (CAS 405278-63-9), with molecular formula C11H9N3O3 and molecular weight 231.06 g/mol. IUPAC: 2-(1H-pyrazole-5-carbonylamino)benzoic acid.
Chemical Property Profile of 2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid
Property Insights of 2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid has 3 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-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid?
The CAS number of 2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid is 405278-63-9.
What is the molecular formula of 2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid?
The molecular formula of 2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid is C11H9N3O3.
What is the molecular weight of 2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid?
The molecular weight of 2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid is 231.06 g/mol.
Where can I buy 2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid?
You can request a quote for 2-[(1H-Pyrazol-3-ylcarbonyl)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 2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1H-Pyrazol-3-ylcarbonyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.