4-(Pyridin-4-yl)benzoic acid
TL;DR: 4-(Pyridin-4-yl)benzoic acid (CAS 76811-97-7) is a chemical compound with molecular formula C12H9NO2 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyridin-4-ylbenzoic acid
Also Known As: 4-PYRIDIN-4-YL-BENZOIC ACID, 4-(4-pyridyl)benzoic acid, 4-pyrid-4-ylbenzoic acid, 4-(PYRIDIN-4-YL)BENZOIC ACID, 4-pyridin-4-ylbenzoic Acid
| Molecular Formula | C12H9NO2 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | 2.4468 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.06332 |
| Heavy Atoms | 15 |
| Complexity | 462.7406 |
Chemical Identifiers
| CAS Number | 76811-97-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=NC=C2)C(=O)O |
Product Overview
4-(Pyridin-4-yl)benzoic acid (CAS 76811-97-7), with molecular formula C12H9NO2 and molecular weight 199.06 g/mol. IUPAC: 4-pyridin-4-ylbenzoic acid.
Chemical Property Profile of 4-(Pyridin-4-yl)benzoic acid
Property Insights of 4-(Pyridin-4-yl)benzoic acid
The XLogP value of 2.4468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Pyridin-4-yl)benzoic acid. With a topological polar surface area (TPSA) of 50.19 Ų, 4-(Pyridin-4-yl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Pyridin-4-yl)benzoic acid has 1 hydrogen bond donor(s) and 2 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-(Pyridin-4-yl)benzoic acid?
The CAS number of 4-(Pyridin-4-yl)benzoic acid is 76811-97-7.
What is the molecular formula of 4-(Pyridin-4-yl)benzoic acid?
The molecular formula of 4-(Pyridin-4-yl)benzoic acid is C12H9NO2.
What is the molecular weight of 4-(Pyridin-4-yl)benzoic acid?
The molecular weight of 4-(Pyridin-4-yl)benzoic acid is 199.06 g/mol.
Where can I buy 4-(Pyridin-4-yl)benzoic acid?
You can request a quote for 4-(Pyridin-4-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Pyridin-4-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Pyridin-4-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.