![1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene structure](/static/products/1554/15543-64-3.webp)
1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene
TL;DR: 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene (CAS 15543-64-3) 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.
1-methyl-4-(3-methylbut-2-enylsulfonyl)benzene
Also Known As: 1-methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene, p-Tolyl 3-methyl-2-butenyl sulfone, 1-methyl-4-(3-methylbut-2-enylsulfonyl)benzene, (3-methylbut-2-enyl) p-tolyl sulfone, 1-(p-toluenesulfonyl)-3-methyl-2-butene
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 2.73492 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.0871 |
| Heavy Atoms | 15 |
| Complexity | 448.90042 |
Chemical Identifiers
| CAS Number | 15543-64-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC=C(C)C |
Product Overview
1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene (CAS 15543-64-3), with molecular formula C12H16O2S and molecular weight 224.09 g/mol. IUPAC: 1-methyl-4-(3-methylbut-2-enylsulfonyl)benzene.
Chemical Property Profile of 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene
Property Insights of 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene
The XLogP value of 2.73492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene. With a topological polar surface area (TPSA) of 34.14 Ų, 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]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 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene?
The CAS number of 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene is 15543-64-3.
What is the molecular formula of 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene?
The molecular formula of 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene is C12H16O2S.
What is the molecular weight of 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene?
The molecular weight of 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene is 224.09 g/mol.
Where can I buy 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene?
You can request a quote for 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-[(3-methyl-2-butenyl)sulfonyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.