3-Phenylsulphonylbenzenesulphonic acid
TL;DR: 3-Phenylsulphonylbenzenesulphonic acid (CAS 63113-57-5) is a chemical compound with molecular formula C12H10O5S2 and molecular weight 298.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)benzenesulfonic acid
Also Known As: 3-(phenylsulfonyl)benzenesulfonic acid, 3-Phenylsulphonylbenzenesulphonic acid, 3-sulfodiphenyl sulfone, 3-(benzenesulfonyl)benzenesulfonic acid, 3-(benzenesulfonyl)benzene-1-sulfonic acid
| Molecular Formula | C12H10O5S2 |
|---|---|
| Molecular Weight | 298.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.99698 |
| Heavy Atoms | 19 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 63113-57-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)O |
| InChIKey | GHLWVGNAUAHTLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylsulphonylbenzenesulphonic acid (CAS 63113-57-5), with molecular formula C12H10O5S2 and molecular weight 298.00 g/mol. IUPAC: 3-(benzenesulfonyl)benzenesulfonic acid.
Chemical Property Profile of 3-Phenylsulphonylbenzenesulphonic acid
Property Insights of 3-Phenylsulphonylbenzenesulphonic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenylsulphonylbenzenesulphonic acid. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenylsulphonylbenzenesulphonic acid. Following Lipinski's Rule of Five, 3-Phenylsulphonylbenzenesulphonic acid has 1 hydrogen bond donor(s) and 5 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 3-Phenylsulphonylbenzenesulphonic acid?
The CAS number of 3-Phenylsulphonylbenzenesulphonic acid is 63113-57-5.
What is the molecular formula of 3-Phenylsulphonylbenzenesulphonic acid?
The molecular formula of 3-Phenylsulphonylbenzenesulphonic acid is C12H10O5S2.
What is the molecular weight of 3-Phenylsulphonylbenzenesulphonic acid?
The molecular weight of 3-Phenylsulphonylbenzenesulphonic acid is 298.00 g/mol.
Where can I buy 3-Phenylsulphonylbenzenesulphonic acid?
You can request a quote for 3-Phenylsulphonylbenzenesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylsulphonylbenzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylsulphonylbenzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.