4-(Azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline
TL;DR: 4-(Azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline (CAS 866895-08-1) is a chemical compound with molecular formula C21H21ClN2O2S and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline
Also Known As: 4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline, 4-(AZEPAN-1-YL)-3-(4-CHLOROBENZENESULFONYL)QUINOLINE, 4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonyl-quinoline, 4-azepan-1-yl-3-[(4-chlorophenyl)sulfonyl]quinoline, 4-(azepan-1-yl)-3-((4-chlorophenyl)sulfonyl)quinoline
| Molecular Formula | C21H21ClN2O2S |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | 5.1014 |
| Topological Polar Surface Area | 50.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.10123 |
| Heavy Atoms | 27 |
| Complexity | 1057.2367 |
Chemical Identifiers
| CAS Number | 866895-08-1 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C(C=NC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)Cl |
Product Overview
4-(Azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline (CAS 866895-08-1), with molecular formula C21H21ClN2O2S and molecular weight 400.10 g/mol. IUPAC: 4-(azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline.
Chemical Property Profile of 4-(Azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline
Property Insights of 4-(Azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline
The XLogP value of 5.1014 indicates that 4-(Azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline 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-(4-chlorophenyl)sulfonylquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline?
The CAS number of 4-(Azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline is 866895-08-1.
What is the molecular formula of 4-(Azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline?
The molecular formula of 4-(Azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline is C21H21ClN2O2S.
What is the molecular weight of 4-(Azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline?
The molecular weight of 4-(Azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline is 400.10 g/mol.
Where can I buy 4-(Azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline?
You can request a quote for 4-(Azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline 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-(4-chlorophenyl)sulfonylquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(Azepan-1-yl)-3-(4-chlorophenyl)sulfonylquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.