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Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI)
TL;DR: Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI) (CAS 724455-76-9) is a chemical compound with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-(pyridin-3-ylcarbamoyl)benzoic acid
Also Known As: 5-Amino-2-(3-pyridinylcarbamoyl)benzoic acid, AQ-360/42570699, 5-amino-2-(pyridin-3-ylcarbamoyl)benzoic acid, Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]- (9CI), 5-amino-2-[(3-pyridinylamino)carbonyl]benzoic acid
| Molecular Formula | C13H11N3O3 |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 1.6143 |
| Topological Polar Surface Area | 105.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.08005 |
| Heavy Atoms | 19 |
| Complexity | 626.2855 |
Chemical Identifiers
| CAS Number | 724455-76-9 |
|---|---|
| SMILES | C1=CC(=CN=C1)NC(=O)C2=C(C=C(C=C2)N)C(=O)O |
Product Overview
Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI) (CAS 724455-76-9), with molecular formula C13H11N3O3 and molecular weight 257.08 g/mol. IUPAC: 5-amino-2-(pyridin-3-ylcarbamoyl)benzoic acid.
Chemical Property Profile of Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI)
Property Insights of Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI)
The XLogP value of 1.6143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI). The TPSA of 105.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI). Following Lipinski's Rule of Five, Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI) 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 Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI)?
The CAS number of Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI) is 724455-76-9.
What is the molecular formula of Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI)?
The molecular formula of Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI) is C13H11N3O3.
What is the molecular weight of Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI)?
The molecular weight of Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI) is 257.08 g/mol.
Where can I buy Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI)?
You can request a quote for Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-amino-2-[(3-pyridinylamino)carbonyl]-(9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.