![1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene structure](/static/products/852/85217-80-7.png)
1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene
TL;DR: 1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene (CAS 85217-80-7) is a chemical compound with molecular formula C13H16O2S and molecular weight 236.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexa-1,5-dien-3-ylsulfonyl-4-methylbenzene
Also Known As: 1-methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene, 1-hexa-1,5-dien-3-ylsulfonyl-4-methylbenzene, Benzene, 1-[(1-ethenyl-3-butenyl)sulfonyl]-4-methyl-, 1-(HEXA-1,5-DIENE-3-SULFONYL)-4-METHYLBENZENE
| Molecular Formula | C13H16O2S |
|---|---|
| Molecular Weight | 236.09 g/mol |
| LogP | 2.89942 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.0871 |
| Heavy Atoms | 16 |
| Complexity | 469.159 |
Chemical Identifiers
| CAS Number | 85217-80-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(CC=C)C=C |
Product Overview
1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene (CAS 85217-80-7), with molecular formula C13H16O2S and molecular weight 236.09 g/mol. IUPAC: 1-hexa-1,5-dien-3-ylsulfonyl-4-methylbenzene.
Chemical Property Profile of 1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene
Property Insights of 1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene
The XLogP value of 2.89942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene. With a topological polar surface area (TPSA) of 34.14 Ų, 1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-[(1-vinyl-3-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-[(1-vinyl-3-butenyl)sulfonyl]benzene?
The CAS number of 1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene is 85217-80-7.
What is the molecular formula of 1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene?
The molecular formula of 1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene is C13H16O2S.
What is the molecular weight of 1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene?
The molecular weight of 1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene is 236.09 g/mol.
Where can I buy 1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene?
You can request a quote for 1-Methyl-4-[(1-vinyl-3-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-[(1-vinyl-3-butenyl)sulfonyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-[(1-vinyl-3-butenyl)sulfonyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.