3-acetylbenzenesulfonic Acid
TL;DR: 3-acetylbenzenesulfonic Acid (CAS 756765-48-7) is a chemical compound with molecular formula C8H8O4S and molecular weight 200.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetylbenzenesulfonic acid
Also Known As: 3-acetylbenzenesulfonic Acid
| Molecular Formula | C8H8O4S |
|---|---|
| Molecular Weight | 200.01 g/mol |
| LogP | 1.1359 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.01433 |
| Heavy Atoms | 13 |
| Complexity | 433.2122 |
Chemical Identifiers
| CAS Number | 756765-48-7 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)S(=O)(=O)O |
Product Overview
3-acetylbenzenesulfonic Acid (CAS 756765-48-7), with molecular formula C8H8O4S and molecular weight 200.01 g/mol. IUPAC: 3-acetylbenzenesulfonic acid.
Chemical Property Profile of 3-acetylbenzenesulfonic Acid
Property Insights of 3-acetylbenzenesulfonic Acid
The XLogP value of 1.1359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-acetylbenzenesulfonic Acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-acetylbenzenesulfonic Acid. Following Lipinski's Rule of Five, 3-acetylbenzenesulfonic 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-acetylbenzenesulfonic Acid?
The CAS number of 3-acetylbenzenesulfonic Acid is 756765-48-7.
What is the molecular formula of 3-acetylbenzenesulfonic Acid?
The molecular formula of 3-acetylbenzenesulfonic Acid is C8H8O4S.
What is the molecular weight of 3-acetylbenzenesulfonic Acid?
The molecular weight of 3-acetylbenzenesulfonic Acid is 200.01 g/mol.
Where can I buy 3-acetylbenzenesulfonic Acid?
You can request a quote for 3-acetylbenzenesulfonic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-acetylbenzenesulfonic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-acetylbenzenesulfonic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.