Butyl phenyl sulfone
TL;DR: Butyl phenyl sulfone (CAS 20349-44-4) is a chemical compound with molecular formula C10H14O2S and molecular weight 198.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butylsulfonylbenzene
Also Known As: (butylsulfonyl)benzene, Butylsulfonylbenzene, butyl phenyl sulfone, Butylphenyl sulfone, Phenylbutyl sulfone
| Molecular Formula | C10H14O2S |
|---|---|
| Molecular Weight | 198.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.07146 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 20349-44-4 |
|---|---|
| SMILES | CCCCS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | SSGWVSXDZMOXDW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl phenyl sulfone (CAS 20349-44-4), with molecular formula C10H14O2S and molecular weight 198.07 g/mol. IUPAC: butylsulfonylbenzene.
Chemical Property Profile of Butyl phenyl sulfone
Property Insights of Butyl phenyl sulfone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl phenyl sulfone. With a topological polar surface area (TPSA) of 42.5 Ų, Butyl phenyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl phenyl sulfone has 0 hydrogen bond donor(s) and 2 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 Butyl phenyl sulfone?
The CAS number of Butyl phenyl sulfone is 20349-44-4.
What is the molecular formula of Butyl phenyl sulfone?
The molecular formula of Butyl phenyl sulfone is C10H14O2S.
What is the molecular weight of Butyl phenyl sulfone?
The molecular weight of Butyl phenyl sulfone is 198.07 g/mol.
Where can I buy Butyl phenyl sulfone?
You can request a quote for Butyl phenyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl phenyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Butyl phenyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.