1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane
TL;DR: 1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane (CAS 898646-48-5) is a chemical compound with molecular formula C13H18FNO2S and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluoro-3-methylphenyl)sulfonylazepane
Also Known As: 1-((4-fluoro-3-methylphenyl)sulfonyl)azepane, 1-(4-fluoro-3-methylphenyl)sulfonylazepane, 1-(4-Fluoro-3-methyl-benzenesulfonyl)-azepane, 1-[(4-fluoro-3-methylphenyl)sulfonyl]azepane, VU0493051-1
| Molecular Formula | C13H18FNO2S |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 2.69882 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.10422 |
| Heavy Atoms | 18 |
| Complexity | 519.79285 |
Chemical Identifiers
| CAS Number | 898646-48-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)F |
Product Overview
1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane (CAS 898646-48-5), with molecular formula C13H18FNO2S and molecular weight 271.10 g/mol. IUPAC: 1-(4-fluoro-3-methylphenyl)sulfonylazepane.
Chemical Property Profile of 1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane
Property Insights of 1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane
The XLogP value of 2.69882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane. With a topological polar surface area (TPSA) of 37.38 Ų, 1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane has 0 hydrogen bond donor(s) and 2 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 1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane?
The CAS number of 1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane is 898646-48-5.
What is the molecular formula of 1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane?
The molecular formula of 1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane is C13H18FNO2S.
What is the molecular weight of 1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane?
The molecular weight of 1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane is 271.10 g/mol.
Where can I buy 1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane?
You can request a quote for 1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-Fluoro-3-methylphenyl)sulfonyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.