1-(Benzenesulfonyl)-4-methylpentan-2-one
TL;DR: 1-(Benzenesulfonyl)-4-methylpentan-2-one (CAS 110921-55-6) is a chemical compound with molecular formula C12H16O3S and molecular weight 240.08202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(benzenesulfonyl)-4-methylpentan-2-one
Also Known As: 4-methyl-1-(phenylsulfonyl)-2-pentanone, 1-(benzenesulfonyl)-4-methylpentan-2-one, 1-(Phenylsulfonyl)-4-methyl-2-pentanone, 1-(benzenesulfonyl)-4-methyl-pentan-2-one, J1.880.855B
Technical Specifications
| Molecular Formula | C12H16O3S |
| Molecular Weight | 240.08202 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.08202 Da |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
| SMILES | CC(C)CC(=O)CS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | VRUJGYRIGSYVHK-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Benzenesulfonyl)-4-methylpentan-2-one
Property Insights of 1-(Benzenesulfonyl)-4-methylpentan-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzenesulfonyl)-4-methylpentan-2-one. With a topological polar surface area (TPSA) of 59.6 Ų, 1-(Benzenesulfonyl)-4-methylpentan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzenesulfonyl)-4-methylpentan-2-one has 0 hydrogen bond donor(s) and 3 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-(Benzenesulfonyl)-4-methylpentan-2-one?
The CAS number of 1-(Benzenesulfonyl)-4-methylpentan-2-one is 110921-55-6.
What is the molecular formula of 1-(Benzenesulfonyl)-4-methylpentan-2-one?
The molecular formula of 1-(Benzenesulfonyl)-4-methylpentan-2-one is C12H16O3S.
What is the molecular weight of 1-(Benzenesulfonyl)-4-methylpentan-2-one?
The molecular weight of 1-(Benzenesulfonyl)-4-methylpentan-2-one is 240.08202 g/mol.
Where can I buy 1-(Benzenesulfonyl)-4-methylpentan-2-one?
You can request a quote for 1-(Benzenesulfonyl)-4-methylpentan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Benzenesulfonyl)-4-methylpentan-2-one?
Yes, CoreyChem provides custom synthesis services for 1-(Benzenesulfonyl)-4-methylpentan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.