(1,1'-Biphenyl)-3,3'-dicarboxylic acid
TL;DR: (1,1'-Biphenyl)-3,3'-dicarboxylic acid (CAS 612-87-3) 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.
3-(3-carboxyphenyl)benzoic acid
Also Known As: BIPHENYL-3,3'-DICARBOXYLIC ACID, m,m'-Dicarboxybiphenyl, 3,3'-Bibenzoic acid, 3-(3-carboxyphenyl)benzoic acid, [1,1'-Biphenyl]-3,3'-dicarboxylic acid
| 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 | 294.0 |
Chemical Identifiers
| CAS Number | 612-87-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CC(=CC=C2)C(=O)O |
| InChIKey | KHZYMPDILLAIQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1'-Biphenyl)-3,3'-dicarboxylic acid (CAS 612-87-3), with molecular formula C14H10O4 and molecular weight 242.06 g/mol. IUPAC: 3-(3-carboxyphenyl)benzoic acid.
Chemical Property Profile of (1,1'-Biphenyl)-3,3'-dicarboxylic acid
Property Insights of (1,1'-Biphenyl)-3,3'-dicarboxylic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,1'-Biphenyl)-3,3'-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,1'-Biphenyl)-3,3'-dicarboxylic acid. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-3,3'-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)-3,3'-dicarboxylic acid?
The CAS number of (1,1'-Biphenyl)-3,3'-dicarboxylic acid is 612-87-3.
What is the molecular formula of (1,1'-Biphenyl)-3,3'-dicarboxylic acid?
The molecular formula of (1,1'-Biphenyl)-3,3'-dicarboxylic acid is C14H10O4.
What is the molecular weight of (1,1'-Biphenyl)-3,3'-dicarboxylic acid?
The molecular weight of (1,1'-Biphenyl)-3,3'-dicarboxylic acid is 242.06 g/mol.
Where can I buy (1,1'-Biphenyl)-3,3'-dicarboxylic acid?
You can request a quote for (1,1'-Biphenyl)-3,3'-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)-3,3'-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Biphenyl)-3,3'-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.