(1,1'-Biphenyl)-3,4-dicarboxylic acid
TL;DR: (1,1'-Biphenyl)-3,4-dicarboxylic acid (CAS 4445-58-3) is a chemical compound with molecular formula C14H10O4 and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylphthalic acid
Also Known As: 4-phenylphthalic acid, biphenyl-3,4-dicarboxylic acid, 3,4-Biphenyldicarboxylic acid, [1,1'-Biphenyl]-3,4-dicarboxylic acid, 3,4-DICARBOXYBIPHENYL
| Molecular Formula | C14H10O4 |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.0579 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 4445-58-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)C(=O)O |
| InChIKey | YYEWRNLQOAIQDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1'-Biphenyl)-3,4-dicarboxylic acid (CAS 4445-58-3), with molecular formula C14H10O4 and molecular weight 242.06 g/mol. IUPAC: 4-phenylphthalic acid.
Chemical Property Profile of (1,1'-Biphenyl)-3,4-dicarboxylic acid
Property Insights of (1,1'-Biphenyl)-3,4-dicarboxylic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,1'-Biphenyl)-3,4-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,1'-Biphenyl)-3,4-dicarboxylic acid. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-3,4-dicarboxylic acid 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 (1,1'-Biphenyl)-3,4-dicarboxylic acid?
The CAS number of (1,1'-Biphenyl)-3,4-dicarboxylic acid is 4445-58-3.
What is the molecular formula of (1,1'-Biphenyl)-3,4-dicarboxylic acid?
The molecular formula of (1,1'-Biphenyl)-3,4-dicarboxylic acid is C14H10O4.
What is the molecular weight of (1,1'-Biphenyl)-3,4-dicarboxylic acid?
The molecular weight of (1,1'-Biphenyl)-3,4-dicarboxylic acid is 242.06 g/mol.
Where can I buy (1,1'-Biphenyl)-3,4-dicarboxylic acid?
You can request a quote for (1,1'-Biphenyl)-3,4-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1'-Biphenyl)-3,4-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Biphenyl)-3,4-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.