![3-[(Phenylsulfonyl)methyl]-2,4-pentanedione structure](/static/products/3390/339098-80-5.webp)
3-[(Phenylsulfonyl)methyl]-2,4-pentanedione
TL;DR: 3-[(Phenylsulfonyl)methyl]-2,4-pentanedione (CAS 339098-80-5) is a chemical compound with molecular formula C12H14O4S and molecular weight 254.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonylmethyl)pentane-2,4-dione
Also Known As: 3-[(phenylsulfonyl)methyl]-2,4-pentanedione, 3-[(benzenesulfonyl)methyl]pentane-2,4-dione, 3-(benzenesulfonylmethyl)pentane-2,4-dione, 8H-921
| Molecular Formula | C12H14O4S |
|---|---|
| Molecular Weight | 254.06 g/mol |
| LogP | 1.2545 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.06128 |
| Heavy Atoms | 17 |
| Complexity | 502.69644 |
Chemical Identifiers
| CAS Number | 339098-80-5 |
|---|---|
| SMILES | CC(=O)C(CS(=O)(=O)C1=CC=CC=C1)C(=O)C |
Product Overview
3-[(Phenylsulfonyl)methyl]-2,4-pentanedione (CAS 339098-80-5), with molecular formula C12H14O4S and molecular weight 254.06 g/mol. IUPAC: 3-(benzenesulfonylmethyl)pentane-2,4-dione.
Chemical Property Profile of 3-[(Phenylsulfonyl)methyl]-2,4-pentanedione
Property Insights of 3-[(Phenylsulfonyl)methyl]-2,4-pentanedione
The XLogP value of 1.2545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Phenylsulfonyl)methyl]-2,4-pentanedione. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Phenylsulfonyl)methyl]-2,4-pentanedione. Following Lipinski's Rule of Five, 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 3-[(Phenylsulfonyl)methyl]-2,4-pentanedione?
The CAS number of 3-[(Phenylsulfonyl)methyl]-2,4-pentanedione is 339098-80-5.
What is the molecular formula of 3-[(Phenylsulfonyl)methyl]-2,4-pentanedione?
The molecular formula of 3-[(Phenylsulfonyl)methyl]-2,4-pentanedione is C12H14O4S.
What is the molecular weight of 3-[(Phenylsulfonyl)methyl]-2,4-pentanedione?
The molecular weight of 3-[(Phenylsulfonyl)methyl]-2,4-pentanedione is 254.06 g/mol.
Where can I buy 3-[(Phenylsulfonyl)methyl]-2,4-pentanedione?
You can request a quote for 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 3-[(Phenylsulfonyl)methyl]-2,4-pentanedione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Phenylsulfonyl)methyl]-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.