1-(Phenylsulfonyl)pinacolone
TL;DR: 1-(Phenylsulfonyl)pinacolone (CAS 81023-75-8) is a chemical compound with molecular formula C12H16O3S and molecular weight 240.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-3,3-dimethylbutan-2-one
Also Known As: 1-(benzenesulfonyl)-3,3-dimethylbutan-2-one, 1-(PHENYLSULFONYL)PINACOLONE, 3,3-dimethyl-1-(phenylsulfonyl)butan-2-one, 1-(Phenylsulfonyl)-3,3-dimethyl-2-butanone, 3,3-dimethyl-1-(phenylsulfonyl)-2-butanone
| Molecular Formula | C12H16O3S |
|---|---|
| Molecular Weight | 240.08 g/mol |
| LogP | 2.0755 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.08202 |
| Heavy Atoms | 16 |
| Complexity | 466.73538 |
Chemical Identifiers
| CAS Number | 81023-75-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)CS(=O)(=O)C1=CC=CC=C1 |
Product Overview
1-(Phenylsulfonyl)pinacolone (CAS 81023-75-8), with molecular formula C12H16O3S and molecular weight 240.08 g/mol. IUPAC: 1-(benzenesulfonyl)-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-(Phenylsulfonyl)pinacolone
Property Insights of 1-(Phenylsulfonyl)pinacolone
The XLogP value of 2.0755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Phenylsulfonyl)pinacolone. With a topological polar surface area (TPSA) of 51.21 Ų, 1-(Phenylsulfonyl)pinacolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Phenylsulfonyl)pinacolone 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
Frequently Asked Questions
What is the CAS number of 1-(Phenylsulfonyl)pinacolone?
The CAS number of 1-(Phenylsulfonyl)pinacolone is 81023-75-8.
What is the molecular formula of 1-(Phenylsulfonyl)pinacolone?
The molecular formula of 1-(Phenylsulfonyl)pinacolone is C12H16O3S.
What is the molecular weight of 1-(Phenylsulfonyl)pinacolone?
The molecular weight of 1-(Phenylsulfonyl)pinacolone is 240.08 g/mol.
Where can I buy 1-(Phenylsulfonyl)pinacolone?
You can request a quote for 1-(Phenylsulfonyl)pinacolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Phenylsulfonyl)pinacolone?
Yes, KEHONG BIO provides custom synthesis services for 1-(Phenylsulfonyl)pinacolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.