1-(4-Fluoro-3-methoxybenzenesulfonyl)azepane
TL;DR: 1-(4-Fluoro-3-methoxybenzenesulfonyl)azepane (CAS 898654-57-4) is a chemical compound with molecular formula C13H18FNO3S and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluoro-3-methoxyphenyl)sulfonylazepane
Also Known As: 1-(4-fluoro-3-methoxybenzenesulfonyl)azepane, 1-(4-fluoro-3-methoxyphenyl)sulfonylazepane, 1-(4-fluoro-3-methoxyphenylsulfonyl)azepane, F3237-0173, VU0493049-1
| Molecular Formula | C13H18FNO3S |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | 2.399 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.09915 |
| Heavy Atoms | 19 |
| Complexity | 536.81934 |
Chemical Identifiers
| CAS Number | 898654-57-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)F |
Product Overview
1-(4-Fluoro-3-methoxybenzenesulfonyl)azepane (CAS 898654-57-4), with molecular formula C13H18FNO3S and molecular weight 287.10 g/mol. IUPAC: 1-(4-fluoro-3-methoxyphenyl)sulfonylazepane.
Chemical Property Profile of 1-(4-Fluoro-3-methoxybenzenesulfonyl)azepane
Property Insights of 1-(4-Fluoro-3-methoxybenzenesulfonyl)azepane
The XLogP value of 2.399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluoro-3-methoxybenzenesulfonyl)azepane. With a topological polar surface area (TPSA) of 46.61 Ų, 1-(4-Fluoro-3-methoxybenzenesulfonyl)azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluoro-3-methoxybenzenesulfonyl)azepane 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 1-(4-Fluoro-3-methoxybenzenesulfonyl)azepane?
The CAS number of 1-(4-Fluoro-3-methoxybenzenesulfonyl)azepane is 898654-57-4.
What is the molecular formula of 1-(4-Fluoro-3-methoxybenzenesulfonyl)azepane?
The molecular formula of 1-(4-Fluoro-3-methoxybenzenesulfonyl)azepane is C13H18FNO3S.
What is the molecular weight of 1-(4-Fluoro-3-methoxybenzenesulfonyl)azepane?
The molecular weight of 1-(4-Fluoro-3-methoxybenzenesulfonyl)azepane is 287.10 g/mol.
Where can I buy 1-(4-Fluoro-3-methoxybenzenesulfonyl)azepane?
You can request a quote for 1-(4-Fluoro-3-methoxybenzenesulfonyl)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-methoxybenzenesulfonyl)azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluoro-3-methoxybenzenesulfonyl)azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.