5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione
TL;DR: 5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione (CAS 2080-81-1) is a chemical compound with molecular formula C15H18O4S and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonylmethyl)-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-(benzenesulfonylmethyl)-5,5-dimethylcyclohexane-1,3-dione, 5,5-dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione, 2-(benzenesulfonylmethyl)-5,5-dimethyl-cyclohexane-1,3-dione, 5,5-dimethyl-2-[(phenylsulfonyl)methyl]cyclohexane-1,3-dione
| Molecular Formula | C15H18O4S |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 2.0347 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.0926 |
| Heavy Atoms | 20 |
| Complexity | 609.09717 |
Chemical Identifiers
| CAS Number | 2080-81-1 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)CS(=O)(=O)C2=CC=CC=C2)C |
Product Overview
5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione (CAS 2080-81-1), with molecular formula C15H18O4S and molecular weight 294.09 g/mol. IUPAC: 2-(benzenesulfonylmethyl)-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione
Property Insights of 5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione
The XLogP value of 2.0347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione. Following Lipinski's Rule of Five, 5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione has 0 hydrogen bond donor(s) and 4 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 5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione?
The CAS number of 5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione is 2080-81-1.
What is the molecular formula of 5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione?
The molecular formula of 5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione is C15H18O4S.
What is the molecular weight of 5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione?
The molecular weight of 5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione is 294.09 g/mol.
Where can I buy 5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione?
You can request a quote for 5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-2-((phenylsulfonyl)methyl)cyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.