![[(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene structure](/static/products/788/78891-03-9.png)
[(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene
TL;DR: [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene (CAS 78891-03-9) is a chemical compound with molecular formula C12H15ClO2S and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene
Also Known As: 1-Chloro-1-phenyl-2-(methylsulfonyl)-3-methyl-1-butene
| Molecular Formula | C12H15ClO2S |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 3.2946 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.04813 |
| Heavy Atoms | 16 |
| Complexity | 487.00986 |
Chemical Identifiers
| CAS Number | 78891-03-9 |
|---|---|
| SMILES | CC(C)/C(=C(/C1=CC=CC=C1)\Cl)/S(=O)(=O)C |
Product Overview
[(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene (CAS 78891-03-9), with molecular formula C12H15ClO2S and molecular weight 258.05 g/mol. IUPAC: [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene.
Chemical Property Profile of [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene
Property Insights of [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene
The XLogP value of 3.2946 indicates that [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene 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 [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene?
The CAS number of [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene is 78891-03-9.
What is the molecular formula of [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene?
The molecular formula of [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene is C12H15ClO2S.
What is the molecular weight of [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene?
The molecular weight of [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene is 258.05 g/mol.
Where can I buy [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene?
You can request a quote for [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [(E)-1-chloro-3-methyl-2-methylsulfonylbut-1-enyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.