4-(3-cyanophenyl)benzoic Acid
TL;DR: 4-(3-cyanophenyl)benzoic Acid (CAS 5728-45-0) is a chemical compound with molecular formula C14H9NO2 and molecular weight 223.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-cyanophenyl)benzoic acid
Also Known As: 4-(3-cyanophenyl)benzoic Acid, 3'-Cyano-[1,1'-biphenyl]-4-carboxylic acid, 3'-Cyano-biphenyl-4-carboxylic acid, 3'-cyano-4-biphenylcarboxylic acid, 4-(3-Cyanophenyl)benzoicacid
| Molecular Formula | C14H9NO2 |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 2.92348 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.06332 |
| Heavy Atoms | 17 |
| Complexity | 594.36444 |
Chemical Identifiers
| CAS Number | 5728-45-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C2=CC=C(C=C2)C(=O)O)C#N |
Product Overview
4-(3-cyanophenyl)benzoic Acid (CAS 5728-45-0), with molecular formula C14H9NO2 and molecular weight 223.06 g/mol. IUPAC: 4-(3-cyanophenyl)benzoic acid.
Chemical Property Profile of 4-(3-cyanophenyl)benzoic Acid
Property Insights of 4-(3-cyanophenyl)benzoic Acid
The XLogP value of 2.92348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-cyanophenyl)benzoic Acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-cyanophenyl)benzoic Acid. Following Lipinski's Rule of Five, 4-(3-cyanophenyl)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-(3-cyanophenyl)benzoic Acid?
The CAS number of 4-(3-cyanophenyl)benzoic Acid is 5728-45-0.
What is the molecular formula of 4-(3-cyanophenyl)benzoic Acid?
The molecular formula of 4-(3-cyanophenyl)benzoic Acid is C14H9NO2.
What is the molecular weight of 4-(3-cyanophenyl)benzoic Acid?
The molecular weight of 4-(3-cyanophenyl)benzoic Acid is 223.06 g/mol.
Where can I buy 4-(3-cyanophenyl)benzoic Acid?
You can request a quote for 4-(3-cyanophenyl)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-(3-cyanophenyl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-cyanophenyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.