4-Benzoylpyridine-3-carboxylic acid
TL;DR: 4-Benzoylpyridine-3-carboxylic acid (CAS 74975-25-0) is a chemical compound with molecular formula C13H9NO3 and molecular weight 227.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzoylpyridine-3-carboxylic acid
Also Known As: 4-Benzoylnicotinic acid, 4-benzoylpyridine-3-carboxylic acid, 3-Pyridinecarboxylicacid, 4-benzoyl-, RefChem:290289
| Molecular Formula | C13H9NO3 |
|---|---|
| Molecular Weight | 227.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 67.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.05824 |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 74975-25-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=NC=C2)C(=O)O |
| InChIKey | XNHHHVALCZHJCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Benzoylpyridine-3-carboxylic acid (CAS 74975-25-0), with molecular formula C13H9NO3 and molecular weight 227.06 g/mol. IUPAC: 4-benzoylpyridine-3-carboxylic acid.
Chemical Property Profile of 4-Benzoylpyridine-3-carboxylic acid
Property Insights of 4-Benzoylpyridine-3-carboxylic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzoylpyridine-3-carboxylic acid. The TPSA of 67.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzoylpyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 4-Benzoylpyridine-3-carboxylic acid has 1 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 4-Benzoylpyridine-3-carboxylic acid?
The CAS number of 4-Benzoylpyridine-3-carboxylic acid is 74975-25-0.
What is the molecular formula of 4-Benzoylpyridine-3-carboxylic acid?
The molecular formula of 4-Benzoylpyridine-3-carboxylic acid is C13H9NO3.
What is the molecular weight of 4-Benzoylpyridine-3-carboxylic acid?
The molecular weight of 4-Benzoylpyridine-3-carboxylic acid is 227.06 g/mol.
Where can I buy 4-Benzoylpyridine-3-carboxylic acid?
You can request a quote for 4-Benzoylpyridine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzoylpyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzoylpyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.