4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline
TL;DR: 4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline (CAS 866844-19-1) is a chemical compound with molecular formula C21H21FN2O2S and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline
Also Known As: 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline, 4-azepan-1-yl-6-fluoro-3-(phenylsulfonyl)quinoline, 4-(azepan-1-yl)-6-fluoro-3-(phenylsulfonyl)quinoline, 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-fluoro-quinoline, F1605-0944
| Molecular Formula | C21H21FN2O2S |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | 4.5871 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.13077 |
| Heavy Atoms | 27 |
| Complexity | 1060.2367 |
Chemical Identifiers
| CAS Number | 866844-19-1 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C3C=C(C=CC3=NC=C2S(=O)(=O)C4=CC=CC=C4)F |
Product Overview
4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline (CAS 866844-19-1), with molecular formula C21H21FN2O2S and molecular weight 384.13 g/mol. IUPAC: 4-(azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline.
Chemical Property Profile of 4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline
Property Insights of 4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline
The XLogP value of 4.5871 indicates that 4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.27 Ų, 4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline has 0 hydrogen bond donor(s) and 4 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-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline?
The CAS number of 4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline is 866844-19-1.
What is the molecular formula of 4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline?
The molecular formula of 4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline is C21H21FN2O2S.
What is the molecular weight of 4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline?
The molecular weight of 4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline is 384.13 g/mol.
Where can I buy 4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline?
You can request a quote for 4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Azepan-1-yl)-3-(benzenesulfonyl)-6-fluoroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.