6-Bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline
TL;DR: 6-Bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline (CAS 541539-69-9) is a chemical compound with molecular formula C15H15BrF3N3 and molecular weight 373.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline
Also Known As: 1-[6-Bromo-2-(trifluoromethyl)quinol-4-yl]homopiperazine, 6-bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline, Quinoline, 6-bromo-4-(hexahydro-1H-1,4-diazepin-1-yl)-2-(trifluoromethyl)-, 6-Bromo-4-(hexahydro-1H-1,4-diazepin-1-yl)-2-(trifluoromethyl)quinoline, C15H15BrF3N3
| Molecular Formula | C15H15BrF3N3 |
|---|---|
| Molecular Weight | 373.04 g/mol |
| LogP | 3.8158 |
| Topological Polar Surface Area | 28.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 373.04013 |
| Heavy Atoms | 22 |
| Complexity | 679.5224 |
Chemical Identifiers
| CAS Number | 541539-69-9 |
|---|---|
| SMILES | C1CNCCN(C1)C2=CC(=NC3=C2C=C(C=C3)Br)C(F)(F)F |
Product Overview
6-Bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline (CAS 541539-69-9), with molecular formula C15H15BrF3N3 and molecular weight 373.04 g/mol. IUPAC: 6-bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline.
Chemical Property Profile of 6-Bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline
Property Insights of 6-Bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline
The XLogP value of 3.8158 indicates that 6-Bromo-4-(1,4-diazepan-1-yl)-2-(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, 6-Bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-4-(1,4-diazepan-1-yl)-2-(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 6-Bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline?
The CAS number of 6-Bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline is 541539-69-9.
What is the molecular formula of 6-Bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline?
The molecular formula of 6-Bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline is C15H15BrF3N3.
What is the molecular weight of 6-Bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline?
The molecular weight of 6-Bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline is 373.04 g/mol.
Where can I buy 6-Bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline?
You can request a quote for 6-Bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-4-(1,4-diazepan-1-yl)-2-(trifluoromethyl)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.