4-Acetylbenzenesulfonyl chloride
TL;DR: 4-Acetylbenzenesulfonyl chloride (CAS 178980-65-9) is a chemical compound with molecular formula C8H7ClO3S and molecular weight 217.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetylbenzenesulfonyl chloride
Also Known As: 4-Acetylbenzenesulfonyl chloride, 4-Acetylbenzene-1-sulfonyl chloride, Benzenesulfonyl chloride, 4-acetyl-, 4-Acetyl-benzenesulfonyl chloride, 4-AcetylbenzenesulfonylChloride
| Molecular Formula | C8H7ClO3S |
|---|---|
| Molecular Weight | 217.98 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.98044 |
| Heavy Atoms | 13 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 178980-65-9 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl |
| InChIKey | FXVDNCRTKXMSEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetylbenzenesulfonyl chloride (CAS 178980-65-9), with molecular formula C8H7ClO3S and molecular weight 217.98 g/mol. IUPAC: 4-acetylbenzenesulfonyl chloride.
Chemical Property Profile of 4-Acetylbenzenesulfonyl chloride
Property Insights of 4-Acetylbenzenesulfonyl chloride
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetylbenzenesulfonyl chloride. With a topological polar surface area (TPSA) of 59.6 Ų, 4-Acetylbenzenesulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetylbenzenesulfonyl chloride has 0 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 4-Acetylbenzenesulfonyl chloride?
The CAS number of 4-Acetylbenzenesulfonyl chloride is 178980-65-9.
What is the molecular formula of 4-Acetylbenzenesulfonyl chloride?
The molecular formula of 4-Acetylbenzenesulfonyl chloride is C8H7ClO3S.
What is the molecular weight of 4-Acetylbenzenesulfonyl chloride?
The molecular weight of 4-Acetylbenzenesulfonyl chloride is 217.98 g/mol.
Where can I buy 4-Acetylbenzenesulfonyl chloride?
You can request a quote for 4-Acetylbenzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylbenzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylbenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.