2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one
TL;DR: 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one (CAS 31378-03-7) is a chemical compound with molecular formula C15H14O3S and molecular weight 274.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-1-phenylethanone
Also Known As: 1-phenyl-2-tosylethanone, 2-(p-Toluenesulfonyl)acetophenone, p-Tolyl phenacyl sulfone, alpha-Tosylacetophenone, 2- ACETOPHENONE
| Molecular Formula | C15H14O3S |
|---|---|
| Molecular Weight | 274.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.06638 |
| Heavy Atoms | 19 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 31378-03-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=CC=C2 |
| InChIKey | RFQXSRPFYWMUDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one (CAS 31378-03-7), with molecular formula C15H14O3S and molecular weight 274.07 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-1-phenylethanone.
Chemical Property Profile of 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one
Property Insights of 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one. With a topological polar surface area (TPSA) of 59.6 Ų, 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one 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 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one?
The CAS number of 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one is 31378-03-7.
What is the molecular formula of 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one?
The molecular formula of 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one is C15H14O3S.
What is the molecular weight of 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one?
The molecular weight of 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one is 274.07 g/mol.
Where can I buy 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one?
You can request a quote for 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.