2-(Phenylmethanesulfonyl)cyclohexan-1-one
TL;DR: 2-(Phenylmethanesulfonyl)cyclohexan-1-one (CAS 10321-66-1) is a chemical compound with molecular formula C13H16O3S and molecular weight 252.08202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzylsulfonylcyclohexan-1-one
Also Known As: 2-benzylsulfonylcyclohexan-1-one, 2-(Phenylmethanesulfonyl)cyclohexan-1-one, Cyclohexanone,2-[(phenylmethyl)sulfonyl]-
Technical Specifications
| Molecular Formula | C13H16O3S |
| Molecular Weight | 252.08202 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.08202 Da |
| Heavy Atoms | 17 |
| Complexity | 361.0 |
| SMILES | C1CCC(=O)C(C1)S(=O)(=O)CC2=CC=CC=C2 |
| InChIKey | MMDJRWKHXBAGJZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Phenylmethanesulfonyl)cyclohexan-1-one
Property Insights of 2-(Phenylmethanesulfonyl)cyclohexan-1-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Phenylmethanesulfonyl)cyclohexan-1-one. With a topological polar surface area (TPSA) of 59.6 Ų, 2-(Phenylmethanesulfonyl)cyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylmethanesulfonyl)cyclohexan-1-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 2-(Phenylmethanesulfonyl)cyclohexan-1-one?
The CAS number of 2-(Phenylmethanesulfonyl)cyclohexan-1-one is 10321-66-1.
What is the molecular formula of 2-(Phenylmethanesulfonyl)cyclohexan-1-one?
The molecular formula of 2-(Phenylmethanesulfonyl)cyclohexan-1-one is C13H16O3S.
What is the molecular weight of 2-(Phenylmethanesulfonyl)cyclohexan-1-one?
The molecular weight of 2-(Phenylmethanesulfonyl)cyclohexan-1-one is 252.08202 g/mol.
Where can I buy 2-(Phenylmethanesulfonyl)cyclohexan-1-one?
You can request a quote for 2-(Phenylmethanesulfonyl)cyclohexan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Phenylmethanesulfonyl)cyclohexan-1-one?
Yes, CoreyChem provides custom synthesis services for 2-(Phenylmethanesulfonyl)cyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.