4-Benzylsulfonyl-4-methylpentan-2-one
TL;DR: 4-Benzylsulfonyl-4-methylpentan-2-one (CAS 74508-94-4) is a chemical compound with molecular formula C13H18O3S and molecular weight 254.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylsulfonyl-4-methylpentan-2-one
Also Known As: 4-benzylsulfonyl-4-methylpentan-2-one, 4-(benzylsulfonyl)-4-methyl-2-pentanone, AE-562/12222081, 4-Methyl-4-(phenylmethanesulfonyl)pentan-2-one
| Molecular Formula | C13H18O3S |
|---|---|
| Molecular Weight | 254.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.09767 |
| Heavy Atoms | 17 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 74508-94-4 |
|---|---|
| SMILES | CC(=O)CC(C)(C)S(=O)(=O)CC1=CC=CC=C1 |
| InChIKey | FOFSKSFSMKSUHI-UHFFFAOYSA-N |
Product Overview
4-Benzylsulfonyl-4-methylpentan-2-one (CAS 74508-94-4), with molecular formula C13H18O3S and molecular weight 254.10 g/mol. IUPAC: 4-benzylsulfonyl-4-methylpentan-2-one.
Chemical Property Profile of 4-Benzylsulfonyl-4-methylpentan-2-one
Property Insights of 4-Benzylsulfonyl-4-methylpentan-2-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Benzylsulfonyl-4-methylpentan-2-one. With a topological polar surface area (TPSA) of 59.6 Ų, 4-Benzylsulfonyl-4-methylpentan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzylsulfonyl-4-methylpentan-2-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 4-Benzylsulfonyl-4-methylpentan-2-one?
The CAS number of 4-Benzylsulfonyl-4-methylpentan-2-one is 74508-94-4.
What is the molecular formula of 4-Benzylsulfonyl-4-methylpentan-2-one?
The molecular formula of 4-Benzylsulfonyl-4-methylpentan-2-one is C13H18O3S.
What is the molecular weight of 4-Benzylsulfonyl-4-methylpentan-2-one?
The molecular weight of 4-Benzylsulfonyl-4-methylpentan-2-one is 254.10 g/mol.
Where can I buy 4-Benzylsulfonyl-4-methylpentan-2-one?
You can request a quote for 4-Benzylsulfonyl-4-methylpentan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzylsulfonyl-4-methylpentan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzylsulfonyl-4-methylpentan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.