(1,1'-Biphenyl)-4-sulfonic acid
TL;DR: (1,1'-Biphenyl)-4-sulfonic acid (CAS 2113-68-0) is a chemical compound with molecular formula C12H10O3S and molecular weight 234.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylbenzenesulfonic acid
Also Known As: 4-Biphenylsulfonic acid, [1,1'-Biphenyl]-4-sulfonic acid, 4-Sulfobiphenyl, 4-phenylbenzenesulfonic acid, p-Biphenylsulfonic acid
| Molecular Formula | C12H10O3S |
|---|---|
| Molecular Weight | 234.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.03506 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 2113-68-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)O |
| InChIKey | XDTYUYVIGLIFCW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,1'-Biphenyl)-4-sulfonic acid (CAS 2113-68-0), with molecular formula C12H10O3S and molecular weight 234.04 g/mol. IUPAC: 4-phenylbenzenesulfonic acid.
Chemical Property Profile of (1,1'-Biphenyl)-4-sulfonic acid
Property Insights of (1,1'-Biphenyl)-4-sulfonic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,1'-Biphenyl)-4-sulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,1'-Biphenyl)-4-sulfonic acid. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-4-sulfonic 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 (1,1'-Biphenyl)-4-sulfonic acid?
The CAS number of (1,1'-Biphenyl)-4-sulfonic acid is 2113-68-0.
What is the molecular formula of (1,1'-Biphenyl)-4-sulfonic acid?
The molecular formula of (1,1'-Biphenyl)-4-sulfonic acid is C12H10O3S.
What is the molecular weight of (1,1'-Biphenyl)-4-sulfonic acid?
The molecular weight of (1,1'-Biphenyl)-4-sulfonic acid is 234.04 g/mol.
Where can I buy (1,1'-Biphenyl)-4-sulfonic acid?
You can request a quote for (1,1'-Biphenyl)-4-sulfonic 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)-4-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Biphenyl)-4-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.