1-But-2-enylsulfonyl-4-methylbenzene
TL;DR: 1-But-2-enylsulfonyl-4-methylbenzene (CAS 68276-71-1) 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-2-enylsulfonyl-4-methylbenzene
Also Known As: Benzene, 1-[(2E)-2-butenylsulfonyl]-4-methyl-
| Molecular Formula | C11H14O2S |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.07146 |
| Heavy Atoms | 14 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 68276-71-1 |
|---|---|
| SMILES | CC=CCS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | WCTXVIZVJWOLBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-But-2-enylsulfonyl-4-methylbenzene (CAS 68276-71-1), with molecular formula C11H14O2S and molecular weight 210.07 g/mol. IUPAC: 1-but-2-enylsulfonyl-4-methylbenzene.
Chemical Property Profile of 1-But-2-enylsulfonyl-4-methylbenzene
Property Insights of 1-But-2-enylsulfonyl-4-methylbenzene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-But-2-enylsulfonyl-4-methylbenzene. With a topological polar surface area (TPSA) of 42.5 Ų, 1-But-2-enylsulfonyl-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-But-2-enylsulfonyl-4-methylbenzene 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 1-But-2-enylsulfonyl-4-methylbenzene?
The CAS number of 1-But-2-enylsulfonyl-4-methylbenzene is 68276-71-1.
What is the molecular formula of 1-But-2-enylsulfonyl-4-methylbenzene?
The molecular formula of 1-But-2-enylsulfonyl-4-methylbenzene is C11H14O2S.
What is the molecular weight of 1-But-2-enylsulfonyl-4-methylbenzene?
The molecular weight of 1-But-2-enylsulfonyl-4-methylbenzene is 210.07 g/mol.
Where can I buy 1-But-2-enylsulfonyl-4-methylbenzene?
You can request a quote for 1-But-2-enylsulfonyl-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-But-2-enylsulfonyl-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-But-2-enylsulfonyl-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.