Butyl 2-phenylvinyl sulfone
TL;DR: Butyl 2-phenylvinyl sulfone (CAS 81562-66-5) is a chemical compound with molecular formula C12H16O2S and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-2-butylsulfonylethenyl]benzene
Also Known As: butyl 2-phenylvinyl sulfone, [(Z)-2-butylsulfonylethenyl]benzene, AB-131/42301230
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 2.8722 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.0871 |
| Heavy Atoms | 15 |
| Complexity | 404.5081 |
Chemical Identifiers
| CAS Number | 81562-66-5 |
|---|---|
| SMILES | CCCCS(=O)(=O)/C=C\C1=CC=CC=C1 |
Product Overview
Butyl 2-phenylvinyl sulfone (CAS 81562-66-5), with molecular formula C12H16O2S and molecular weight 224.09 g/mol. IUPAC: [(Z)-2-butylsulfonylethenyl]benzene.
Chemical Property Profile of Butyl 2-phenylvinyl sulfone
Property Insights of Butyl 2-phenylvinyl sulfone
The XLogP value of 2.8722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-phenylvinyl sulfone. With a topological polar surface area (TPSA) of 34.14 Ų, Butyl 2-phenylvinyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-phenylvinyl 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 2-phenylvinyl sulfone?
The CAS number of Butyl 2-phenylvinyl sulfone is 81562-66-5.
What is the molecular formula of Butyl 2-phenylvinyl sulfone?
The molecular formula of Butyl 2-phenylvinyl sulfone is C12H16O2S.
What is the molecular weight of Butyl 2-phenylvinyl sulfone?
The molecular weight of Butyl 2-phenylvinyl sulfone is 224.09 g/mol.
Where can I buy Butyl 2-phenylvinyl sulfone?
You can request a quote for Butyl 2-phenylvinyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-phenylvinyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-phenylvinyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.