![2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione structure](/static/products/3390/339098-50-9.webp)
2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione
TL;DR: 2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione (CAS 339098-50-9) is a chemical compound with molecular formula C13H14O4S and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonylmethyl)cyclohexane-1,3-dione
Also Known As: 2-[(phenylsulfonyl)methyl]-1,3-cyclohexanedione, 2-(benzenesulfonylmethyl)cyclohexane-1,3-dione, 2-[(benzenesulfonyl)methyl]cyclohexane-1,3-dione
| Molecular Formula | C13H14O4S |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 1.3986 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.06128 |
| Heavy Atoms | 18 |
| Complexity | 543.9139 |
Chemical Identifiers
| CAS Number | 339098-50-9 |
|---|---|
| SMILES | C1CC(=O)C(C(=O)C1)CS(=O)(=O)C2=CC=CC=C2 |
Product Overview
2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione (CAS 339098-50-9), with molecular formula C13H14O4S and molecular weight 266.06 g/mol. IUPAC: 2-(benzenesulfonylmethyl)cyclohexane-1,3-dione.
Chemical Property Profile of 2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione
Property Insights of 2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione
The XLogP value of 1.3986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione. Following Lipinski's Rule of Five, 2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione 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 2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione?
The CAS number of 2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione is 339098-50-9.
What is the molecular formula of 2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione?
The molecular formula of 2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione is C13H14O4S.
What is the molecular weight of 2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione?
The molecular weight of 2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione is 266.06 g/mol.
Where can I buy 2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione?
You can request a quote for 2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Phenylsulfonyl)methyl]-1,3-cyclohexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.