3-benzoylbenzenesulfonic Acid
TL;DR: 3-benzoylbenzenesulfonic Acid (CAS 63113-58-6) is a chemical compound with molecular formula C13H10O4S and molecular weight 262.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzoylbenzenesulfonic acid
Also Known As: 3-benzoylbenzenesulfonic Acid, 3-benzoyl-benzenesulfonic acid, Benzenesulfonic acid, 3-benzoyl-, 3-Benzoylbenzene-1-sulfonic acid
| Molecular Formula | C13H10O4S |
|---|---|
| Molecular Weight | 262.03 g/mol |
| LogP | 2.1643 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.02997 |
| Heavy Atoms | 18 |
| Complexity | 675.1473 |
Chemical Identifiers
| CAS Number | 63113-58-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)O |
Product Overview
3-benzoylbenzenesulfonic Acid (CAS 63113-58-6), with molecular formula C13H10O4S and molecular weight 262.03 g/mol. IUPAC: 3-benzoylbenzenesulfonic acid.
Chemical Property Profile of 3-benzoylbenzenesulfonic Acid
Property Insights of 3-benzoylbenzenesulfonic Acid
The XLogP value of 2.1643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzoylbenzenesulfonic Acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzoylbenzenesulfonic Acid. Following Lipinski's Rule of Five, 3-benzoylbenzenesulfonic 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 3-benzoylbenzenesulfonic Acid?
The CAS number of 3-benzoylbenzenesulfonic Acid is 63113-58-6.
What is the molecular formula of 3-benzoylbenzenesulfonic Acid?
The molecular formula of 3-benzoylbenzenesulfonic Acid is C13H10O4S.
What is the molecular weight of 3-benzoylbenzenesulfonic Acid?
The molecular weight of 3-benzoylbenzenesulfonic Acid is 262.03 g/mol.
Where can I buy 3-benzoylbenzenesulfonic Acid?
You can request a quote for 3-benzoylbenzenesulfonic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzoylbenzenesulfonic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-benzoylbenzenesulfonic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.