![Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]- structure](/static/products/1165/116589-61-8.webp)
Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]-
TL;DR: Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]- (CAS 116589-61-8) is a chemical compound with molecular formula C13H12O3S and molecular weight 248.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylsulfonylnaphthalen-1-yl)ethanone
Also Known As: ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]-, 1-[4-(methylsulfonyl)-1-naphthyl]ethanone, 1-acetyl-4-methylsulphonylnaphthalene, 1-acetyl-4-methylsulfonyl-naphthalene, 1-(4-(methylsulfonyl)-1-naphthyl)ethanone
| Molecular Formula | C13H12O3S |
|---|---|
| Molecular Weight | 248.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.05072 |
| Heavy Atoms | 17 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 116589-61-8 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C2=CC=CC=C21)S(=O)(=O)C |
| InChIKey | BPPGPNVDNMBHTG-UHFFFAOYSA-N |
Product Overview
Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]- (CAS 116589-61-8), with molecular formula C13H12O3S and molecular weight 248.05 g/mol. IUPAC: 1-(4-methylsulfonylnaphthalen-1-yl)ethanone.
Chemical Property Profile of Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]-
Property Insights of Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]-. With a topological polar surface area (TPSA) of 59.6 Ų, Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]- 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 Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]-?
The CAS number of Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]- is 116589-61-8.
What is the molecular formula of Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]-?
The molecular formula of Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]- is C13H12O3S.
What is the molecular weight of Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]-?
The molecular weight of Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]- is 248.05 g/mol.
Where can I buy Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]-?
You can request a quote for Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-[4-(methylsulfonyl)-1-naphthalenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.