4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one
TL;DR: 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one (CAS 57491-36-8) is a chemical compound with molecular formula C18H20O5S2 and molecular weight 380.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-4-methylsulfonyl-1-phenylbutan-1-one
Also Known As: 2-[(4-methylphenyl)sulfonyl]-4-(methylsulfonyl)-1-phenylbutan-1-one, 2-(4-methylphenyl)sulfonyl-4-methylsulfonyl-1-phenylbutan-1-one, 2-(4-methylphenyl)sulfonyl-4-methylsulfonyl-1-phenylbutan-1-, 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one, 4-Methansulfonyl-1-phenyl-2-(toluol-4-sulfonyl)-butan-1-on
| Molecular Formula | C18H20O5S2 |
|---|---|
| Molecular Weight | 380.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.07523 |
| Heavy Atoms | 25 |
| Complexity | 641.0 |
Chemical Identifiers
| CAS Number | 57491-36-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(CCS(=O)(=O)C)C(=O)C2=CC=CC=C2 |
| InChIKey | HAHRXWGCOGMFGI-UHFFFAOYSA-N |
Product Overview
4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one (CAS 57491-36-8), with molecular formula C18H20O5S2 and molecular weight 380.08 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-4-methylsulfonyl-1-phenylbutan-1-one.
Chemical Property Profile of 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one
Property Insights of 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one. Following Lipinski's Rule of Five, 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one has 0 hydrogen bond donor(s) and 5 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-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one?
The CAS number of 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one is 57491-36-8.
What is the molecular formula of 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one?
The molecular formula of 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one is C18H20O5S2.
What is the molecular weight of 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one?
The molecular weight of 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one is 380.08 g/mol.
Where can I buy 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one?
You can request a quote for 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methanesulfonyl)-2-(4-methylbenzene-1-sulfonyl)-1-phenylbutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.