![1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione structure](/static/products/3390/339098-84-9.webp)
1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione
TL;DR: 1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione (CAS 339098-84-9) is a chemical compound with molecular formula C12H11F3O4S and molecular weight 308.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonylmethyl)-1,1,1-trifluoropentane-2,4-dione
Also Known As: 8H-923, 1,1,1-trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione, 3-(benzenesulfonylmethyl)-1,1,1-trifluoropentane-2,4-dione, 3-(benzenesulfonylmethyl)-1,1,1-trifluoro-pentane-2,4-dione, 3-[(benzenesulfonyl)methyl]-1,1,1-trifluoropentane-2,4-dione
| Molecular Formula | C12H11F3O4S |
|---|---|
| Molecular Weight | 308.03 g/mol |
| LogP | 1.7969 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.03302 |
| Heavy Atoms | 20 |
| Complexity | 605.33966 |
Chemical Identifiers
| CAS Number | 339098-84-9 |
|---|---|
| SMILES | CC(=O)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)C(F)(F)F |
Product Overview
1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione (CAS 339098-84-9), with molecular formula C12H11F3O4S and molecular weight 308.03 g/mol. IUPAC: 3-(benzenesulfonylmethyl)-1,1,1-trifluoropentane-2,4-dione.
Chemical Property Profile of 1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione
Property Insights of 1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione
The XLogP value of 1.7969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione 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 1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione?
The CAS number of 1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione is 339098-84-9.
What is the molecular formula of 1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione?
The molecular formula of 1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione is C12H11F3O4S.
What is the molecular weight of 1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione?
The molecular weight of 1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione is 308.03 g/mol.
Where can I buy 1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione?
You can request a quote for 1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-3-[(phenylsulfonyl)methyl]-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.