4'-Nitrobiphenyl-3-carboxylic acid
TL;DR: 4'-Nitrobiphenyl-3-carboxylic acid (CAS 729-01-1) is a chemical compound with molecular formula C13H9NO4 and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)benzoic acid
Also Known As: 3-(4-nitrophenyl)benzoic acid, 4'-Nitro-[1,1'-biphenyl]-3-carboxylic acid, 4'-Nitro-3-biphenylcarboxylic acid, 4'-NITROBIPHENYL-3-CARBOXYLIC ACID, 4-Nitro-3'-carboxybiphenyl
| Molecular Formula | C13H9NO4 |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 2.96 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.05316 |
| Heavy Atoms | 18 |
| Complexity | 604.64325 |
Chemical Identifiers
| CAS Number | 729-01-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4'-Nitrobiphenyl-3-carboxylic acid (CAS 729-01-1), with molecular formula C13H9NO4 and molecular weight 243.05 g/mol. IUPAC: 3-(4-nitrophenyl)benzoic acid.
Chemical Property Profile of 4'-Nitrobiphenyl-3-carboxylic acid
Property Insights of 4'-Nitrobiphenyl-3-carboxylic acid
The XLogP value of 2.96 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Nitrobiphenyl-3-carboxylic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Nitrobiphenyl-3-carboxylic acid. Following Lipinski's Rule of Five, 4'-Nitrobiphenyl-3-carboxylic acid has 1 hydrogen bond donor(s) and 3 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'-Nitrobiphenyl-3-carboxylic acid?
The CAS number of 4'-Nitrobiphenyl-3-carboxylic acid is 729-01-1.
What is the molecular formula of 4'-Nitrobiphenyl-3-carboxylic acid?
The molecular formula of 4'-Nitrobiphenyl-3-carboxylic acid is C13H9NO4.
What is the molecular weight of 4'-Nitrobiphenyl-3-carboxylic acid?
The molecular weight of 4'-Nitrobiphenyl-3-carboxylic acid is 243.05 g/mol.
Where can I buy 4'-Nitrobiphenyl-3-carboxylic acid?
You can request a quote for 4'-Nitrobiphenyl-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'-Nitrobiphenyl-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4'-Nitrobiphenyl-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.