4-acetyloxybenzenesulfonic Acid
TL;DR: 4-acetyloxybenzenesulfonic Acid (CAS 46331-24-2) is a chemical compound with molecular formula C8H8O5S and molecular weight 216.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyloxybenzenesulfonic acid
Also Known As: 4-acetyloxybenzenesulfonic Acid, 4-acetoxybenzenesulfonic acid, 4-Sulfophenol acetate, 4-Acetyl-phenol-1-sulfonsaeure, 4-(acetyloxy)benzene-1-sulfonic acid
| Molecular Formula | C8H8O5S |
|---|---|
| Molecular Weight | 216.01 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.00925 |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 46331-24-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | PCWITQSPDHVTKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-acetyloxybenzenesulfonic Acid (CAS 46331-24-2), with molecular formula C8H8O5S and molecular weight 216.01 g/mol. IUPAC: 4-acetyloxybenzenesulfonic acid.
Chemical Property Profile of 4-acetyloxybenzenesulfonic Acid
Property Insights of 4-acetyloxybenzenesulfonic Acid
The XLogP value of -0.1 indicates that 4-acetyloxybenzenesulfonic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-acetyloxybenzenesulfonic Acid. Following Lipinski's Rule of Five, 4-acetyloxybenzenesulfonic 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 4-acetyloxybenzenesulfonic Acid?
The CAS number of 4-acetyloxybenzenesulfonic Acid is 46331-24-2.
What is the molecular formula of 4-acetyloxybenzenesulfonic Acid?
The molecular formula of 4-acetyloxybenzenesulfonic Acid is C8H8O5S.
What is the molecular weight of 4-acetyloxybenzenesulfonic Acid?
The molecular weight of 4-acetyloxybenzenesulfonic Acid is 216.01 g/mol.
Where can I buy 4-acetyloxybenzenesulfonic Acid?
You can request a quote for 4-acetyloxybenzenesulfonic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-acetyloxybenzenesulfonic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-acetyloxybenzenesulfonic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.