4-Chlorophenylsulfonylacetone
TL;DR: 4-Chlorophenylsulfonylacetone (CAS 5000-48-6) is a chemical compound with molecular formula C9H9ClO3S and molecular weight 232.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfonylpropan-2-one
Also Known As: 4-Chlorophenylsulfonylacetone, 1-((4-Chlorophenyl)sulfonyl)propan-2-one, 4-Chlorobenzenesulphonylacetone, (4-Chlorophenylsulfonyl)acetone, 1-[(4-Chlorophenyl)sulfonyl]acetone
| Molecular Formula | C9H9ClO3S |
|---|---|
| Molecular Weight | 232.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.9961 |
| Heavy Atoms | 14 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 5000-48-6 |
|---|---|
| SMILES | CC(=O)CS(=O)(=O)C1=CC=C(C=C1)Cl |
| InChIKey | BRDBHPZILGTBFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorophenylsulfonylacetone (CAS 5000-48-6), with molecular formula C9H9ClO3S and molecular weight 232.00 g/mol. IUPAC: 1-(4-chlorophenyl)sulfonylpropan-2-one.
Chemical Property Profile of 4-Chlorophenylsulfonylacetone
Property Insights of 4-Chlorophenylsulfonylacetone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophenylsulfonylacetone. With a topological polar surface area (TPSA) of 59.6 Ų, 4-Chlorophenylsulfonylacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenylsulfonylacetone 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-Chlorophenylsulfonylacetone?
The CAS number of 4-Chlorophenylsulfonylacetone is 5000-48-6.
What is the molecular formula of 4-Chlorophenylsulfonylacetone?
The molecular formula of 4-Chlorophenylsulfonylacetone is C9H9ClO3S.
What is the molecular weight of 4-Chlorophenylsulfonylacetone?
The molecular weight of 4-Chlorophenylsulfonylacetone is 232.00 g/mol.
Where can I buy 4-Chlorophenylsulfonylacetone?
You can request a quote for 4-Chlorophenylsulfonylacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenylsulfonylacetone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenylsulfonylacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.