![4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone structure](/static/products/3392/339207-79-3.webp)
4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone
TL;DR: 4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone (CAS 339207-79-3) 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.
4-(3,4-dimethylphenyl)sulfonylbutan-2-one
Also Known As: starbld0025947, 4-(3,4-dimethylbenzenesulfonyl)butan-2-one, 4-[(3,4-dimethylphenyl)sulfonyl]butan-2-one, 4-(3,4-dimethylphenyl)sulfonylbutan-2-one, 4-[(3,4-dimethylphenyl)sulfonyl]-2-butanone
| Molecular Formula | C12H16O3S |
|---|---|
| Molecular Weight | 240.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.08202 |
| Heavy Atoms | 16 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 339207-79-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)CCC(=O)C)C |
| InChIKey | DSOPGKFNVNVBPT-UHFFFAOYSA-N |
Product Overview
4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone (CAS 339207-79-3), with molecular formula C12H16O3S and molecular weight 240.08 g/mol. IUPAC: 4-(3,4-dimethylphenyl)sulfonylbutan-2-one.
Chemical Property Profile of 4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone
Property Insights of 4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone. With a topological polar surface area (TPSA) of 59.6 Ų, 4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone 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 4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone?
The CAS number of 4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone is 339207-79-3.
What is the molecular formula of 4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone?
The molecular formula of 4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone is C12H16O3S.
What is the molecular weight of 4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone?
The molecular weight of 4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone is 240.08 g/mol.
Where can I buy 4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone?
You can request a quote for 4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,4-Dimethylphenyl)sulfonyl]-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.