4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline
TL;DR: 4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline (CAS 886761-89-3) is a chemical compound with molecular formula C16H15F6N3 and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,4-diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline
Also Known As: 1-[2,6-Bis(trifluoromethyl)quinol-4-yl]homopiperazine, 4-(1,4-diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline, 1-[2,6-Bis(trifluoromethyl)quinol-4-yl]homopiperazine 97%
| Molecular Formula | C16H15F6N3 |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 4.0721 |
| Topological Polar Surface Area | 28.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 363.117 |
| Heavy Atoms | 25 |
| Complexity | 760.7797 |
Chemical Identifiers
| CAS Number | 886761-89-3 |
|---|---|
| SMILES | C1CNCCN(C1)C2=CC(=NC3=C2C=C(C=C3)C(F)(F)F)C(F)(F)F |
Product Overview
4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline (CAS 886761-89-3), with molecular formula C16H15F6N3 and molecular weight 363.12 g/mol. IUPAC: 4-(1,4-diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline.
Chemical Property Profile of 4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline
Property Insights of 4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline
The XLogP value of 4.0721 indicates that 4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.16 Ų, 4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline has 1 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 4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline?
The CAS number of 4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline is 886761-89-3.
What is the molecular formula of 4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline?
The molecular formula of 4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline is C16H15F6N3.
What is the molecular weight of 4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline?
The molecular weight of 4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline is 363.12 g/mol.
Where can I buy 4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline?
You can request a quote for 4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,4-Diazepan-1-yl)-2,6-bis(trifluoromethyl)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.