1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)benzene
TL;DR: 1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)benzene (CAS 72863-21-9) 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-(2-methylbut-3-en-2-ylsulfonyl)benzene
Also Known As: 1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)benzene, 1-[(1,1-dimethyl-2-propenyl)sulfonyl]-4-methylbenzene, (4-Methylphenyl)(1,1-dimethylallyl) sulfone, J2.757.379G, Benzene, 1-[(1,1-dimethyl-2-propenyl)sulfonyl]-4-methyl-
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 2.73332 |
| 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 | 452.90042 |
Chemical Identifiers
| CAS Number | 72863-21-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(C)(C)C=C |
Product Overview
1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)benzene (CAS 72863-21-9), with molecular formula C12H16O2S and molecular weight 224.09 g/mol. IUPAC: 1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)benzene.
Chemical Property Profile of 1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)benzene
Property Insights of 1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)benzene
The XLogP value of 2.73332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)benzene. With a topological polar surface area (TPSA) of 34.14 Ų, 1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)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-(2-methylbut-3-en-2-ylsulfonyl)benzene?
The CAS number of 1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)benzene is 72863-21-9.
What is the molecular formula of 1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)benzene?
The molecular formula of 1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)benzene is C12H16O2S.
What is the molecular weight of 1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)benzene?
The molecular weight of 1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)benzene is 224.09 g/mol.
Where can I buy 1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)benzene?
You can request a quote for 1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)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-(2-methylbut-3-en-2-ylsulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-4-(2-methylbut-3-en-2-ylsulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.