3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one
TL;DR: 3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one (CAS 593271-16-0) is a chemical compound with molecular formula C16H18O3S and molecular weight 290.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one
Also Known As: 3,3-dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one, 3,3-dimethyl-1-(2-naphthylsulfonyl)-2-butanone, AP-853/42161333, 3,3-dimethyl-1-(naphthalen-2-ylsulfonyl)butan-2-one
| Molecular Formula | C16H18O3S |
|---|---|
| Molecular Weight | 290.10 g/mol |
| LogP | 3.2287 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.09766 |
| Heavy Atoms | 20 |
| Complexity | 752.6308 |
Chemical Identifiers
| CAS Number | 593271-16-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)CS(=O)(=O)C1=CC2=CC=CC=C2C=C1 |
Product Overview
3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one (CAS 593271-16-0), with molecular formula C16H18O3S and molecular weight 290.10 g/mol. IUPAC: 3,3-dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one.
Chemical Property Profile of 3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one
Property Insights of 3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one
The XLogP value of 3.2287 indicates that 3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.21 Ų, 3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-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 3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one?
The CAS number of 3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one is 593271-16-0.
What is the molecular formula of 3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one?
The molecular formula of 3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one is C16H18O3S.
What is the molecular weight of 3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one?
The molecular weight of 3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one is 290.10 g/mol.
Where can I buy 3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one?
You can request a quote for 3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1-naphthalen-2-ylsulfonylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.