3-Butenyl p-tolyl sulphone
TL;DR: 3-Butenyl p-tolyl sulphone (CAS 17482-19-8) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-but-3-enylsulfonyl-4-methylbenzene
Also Known As: 3-Butenyl p-tolyl sulphone, 1-but-3-enylsulfonyl-4-methylbenzene, 4-(p-Tolylsulfonyl)-1-butene, 1-(but-3-en-1-ylsulfonyl)-4-methylbenzene, 1-(But-3-ene-1-sulfonyl)-4-methyl-benzene
| Molecular Formula | C11H14O2S |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.07146 |
| Heavy Atoms | 14 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 17482-19-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CCC=C |
| InChIKey | KFKSUCUTIOURTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butenyl p-tolyl sulphone (CAS 17482-19-8), with molecular formula C11H14O2S and molecular weight 210.07 g/mol. IUPAC: 1-but-3-enylsulfonyl-4-methylbenzene.
Chemical Property Profile of 3-Butenyl p-tolyl sulphone
Property Insights of 3-Butenyl p-tolyl sulphone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butenyl p-tolyl sulphone. With a topological polar surface area (TPSA) of 42.5 Ų, 3-Butenyl p-tolyl sulphone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenyl p-tolyl sulphone 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 3-Butenyl p-tolyl sulphone?
The CAS number of 3-Butenyl p-tolyl sulphone is 17482-19-8.
What is the molecular formula of 3-Butenyl p-tolyl sulphone?
The molecular formula of 3-Butenyl p-tolyl sulphone is C11H14O2S.
What is the molecular weight of 3-Butenyl p-tolyl sulphone?
The molecular weight of 3-Butenyl p-tolyl sulphone is 210.07 g/mol.
Where can I buy 3-Butenyl p-tolyl sulphone?
You can request a quote for 3-Butenyl p-tolyl sulphone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenyl p-tolyl sulphone?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenyl p-tolyl sulphone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.