4-(Benzenesulfonyl)butan-2-one
TL;DR: 4-(Benzenesulfonyl)butan-2-one (CAS 24731-39-3) is a chemical compound with molecular formula C10H12O3S and molecular weight 212.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonyl)butan-2-one
Also Known As: 4-(phenylsulfonyl)-2-butanone, 4-(benzenesulfonyl)butan-2-one, 4-(phenylsulfonyl)butan-2-one, 4-phenylsulfonyl-2-butanone, 4-(benzenesulfonyl)-butan-2-one
| Molecular Formula | C10H12O3S |
|---|---|
| Molecular Weight | 212.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.05072 |
| Heavy Atoms | 14 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 24731-39-3 |
|---|---|
| SMILES | CC(=O)CCS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | XBBVTJOAYYZFPW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Benzenesulfonyl)butan-2-one (CAS 24731-39-3), with molecular formula C10H12O3S and molecular weight 212.05 g/mol. IUPAC: 4-(benzenesulfonyl)butan-2-one.
Chemical Property Profile of 4-(Benzenesulfonyl)butan-2-one
Property Insights of 4-(Benzenesulfonyl)butan-2-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzenesulfonyl)butan-2-one. With a topological polar surface area (TPSA) of 59.6 Ų, 4-(Benzenesulfonyl)butan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzenesulfonyl)butan-2-one 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-(Benzenesulfonyl)butan-2-one?
The CAS number of 4-(Benzenesulfonyl)butan-2-one is 24731-39-3.
What is the molecular formula of 4-(Benzenesulfonyl)butan-2-one?
The molecular formula of 4-(Benzenesulfonyl)butan-2-one is C10H12O3S.
What is the molecular weight of 4-(Benzenesulfonyl)butan-2-one?
The molecular weight of 4-(Benzenesulfonyl)butan-2-one is 212.05 g/mol.
Where can I buy 4-(Benzenesulfonyl)butan-2-one?
You can request a quote for 4-(Benzenesulfonyl)butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzenesulfonyl)butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzenesulfonyl)butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.