Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide
TL;DR: Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide (CAS 62834-16-6) is a chemical compound with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoic acid
Also Known As: N-(4-Carboxyphenyl)isonicotinamide 1-oxide, Benzoic acid, m-isonicotinamido-, 1'-oxide, Isonicotinamide, N-(p-carboxyphenyl)-, 1-oxide, N-(3-Carboxyphenyl)isonicotinamide 1-oxide, 4-((4-Pyridinylcarbonyl)amino)benzoic acid N-oxide
| Molecular Formula | C13H10N2O4 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.06406 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 62834-16-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC=[N+](C=C2)[O-] |
| InChIKey | MDBUUKNNYXYBSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide (CAS 62834-16-6), with molecular formula C13H10N2O4 and molecular weight 258.06 g/mol. IUPAC: 4-[(1-oxidopyridin-1-ium-4-carbonyl)amino]benzoic acid.
Chemical Property Profile of Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide
Property Insights of Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide. Following Lipinski's Rule of Five, Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide has 2 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, 3-((4-pyridinylcarbonyl)amino)-, N-oxide?
The CAS number of Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide is 62834-16-6.
What is the molecular formula of Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide?
The molecular formula of Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide is C13H10N2O4.
What is the molecular weight of Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide?
The molecular weight of Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide is 258.06 g/mol.
Where can I buy Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide?
You can request a quote for Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-((4-pyridinylcarbonyl)amino)-, N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.