1-But-1-enylsulfonyl-4-methylbenzene
TL;DR: 1-But-1-enylsulfonyl-4-methylbenzene (CAS 111895-49-9) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07146 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-but-1-enylsulfonyl-4-methylbenzene
Also Known As: But-1-enyl-p-tolyl sulphone, Benzene,1-[(1E)-1-buten-1-ylsulfonyl]-4-methyl-
Technical Specifications
| Molecular Formula | C11H14O2S |
| Molecular Weight | 210.07146 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.07146 Da |
| Heavy Atoms | 14 |
| Complexity | 277.0 |
| SMILES | CCC=CS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | CGOCKBRDRHIVRU-UHFFFAOYSA-N |
Chemical Property Profile of 1-But-1-enylsulfonyl-4-methylbenzene
Property Insights of 1-But-1-enylsulfonyl-4-methylbenzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-But-1-enylsulfonyl-4-methylbenzene. With a topological polar surface area (TPSA) of 42.5 Ų, 1-But-1-enylsulfonyl-4-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-But-1-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
What is the CAS number of 1-But-1-enylsulfonyl-4-methylbenzene?
The CAS number of 1-But-1-enylsulfonyl-4-methylbenzene is 111895-49-9.
What is the molecular formula of 1-But-1-enylsulfonyl-4-methylbenzene?
The molecular formula of 1-But-1-enylsulfonyl-4-methylbenzene is C11H14O2S.
What is the molecular weight of 1-But-1-enylsulfonyl-4-methylbenzene?
The molecular weight of 1-But-1-enylsulfonyl-4-methylbenzene is 210.07146 g/mol.
Where can I buy 1-But-1-enylsulfonyl-4-methylbenzene?
You can request a quote for 1-But-1-enylsulfonyl-4-methylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-But-1-enylsulfonyl-4-methylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-But-1-enylsulfonyl-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.