Diallyl sulfone
TL;DR: Diallyl sulfone (CAS 20380-95-4) is a chemical compound with molecular formula C6H10O2S and molecular weight 146.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enylsulfonylprop-1-ene
Also Known As: Diallyl sulfone, Allyl sulfone, DIALLYLSULFONE, diallyl sulphone, allylsulfone
| Molecular Formula | C6H10O2S |
|---|---|
| Molecular Weight | 146.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 146.04015 |
| Heavy Atoms | 9 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 20380-95-4 |
|---|---|
| SMILES | C=CCS(=O)(=O)CC=C |
| InChIKey | NZEDMAWEJPYWCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diallyl sulfone (CAS 20380-95-4), with molecular formula C6H10O2S and molecular weight 146.04 g/mol. IUPAC: 3-prop-2-enylsulfonylprop-1-ene.
Chemical Property Profile of Diallyl sulfone
Property Insights of Diallyl sulfone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diallyl sulfone. With a topological polar surface area (TPSA) of 42.5 Ų, Diallyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallyl 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 Diallyl sulfone?
The CAS number of Diallyl sulfone is 20380-95-4.
What is the molecular formula of Diallyl sulfone?
The molecular formula of Diallyl sulfone is C6H10O2S.
What is the molecular weight of Diallyl sulfone?
The molecular weight of Diallyl sulfone is 146.04 g/mol.
Where can I buy Diallyl sulfone?
You can request a quote for Diallyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Diallyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.