![1-[4-(Trifluoromethyl)benzyl]azepane structure](/static/products/414/414880-56-1.png)
1-[4-(Trifluoromethyl)benzyl]azepane
TL;DR: 1-[4-(Trifluoromethyl)benzyl]azepane (CAS 414880-56-1) is a chemical compound with molecular formula C14H18F3N and molecular weight 257.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-(trifluoromethyl)phenyl]methyl]azepane
Also Known As: 1-[4-(trifluoromethyl)benzyl]azepane, 1-[[4-(trifluoromethyl)phenyl]methyl]azepane, 1h-azepine, hexahydro-1-[[4-(trifluoromethyl)phenyl]methyl]-
| Molecular Formula | C14H18F3N |
|---|---|
| Molecular Weight | 257.14 g/mol |
| LogP | 4.0814 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.13913 |
| Heavy Atoms | 18 |
| Complexity | 361.62064 |
Chemical Identifiers
| CAS Number | 414880-56-1 |
|---|---|
| SMILES | C1CCCN(CC1)CC2=CC=C(C=C2)C(F)(F)F |
Product Overview
1-[4-(Trifluoromethyl)benzyl]azepane (CAS 414880-56-1), with molecular formula C14H18F3N and molecular weight 257.14 g/mol. IUPAC: 1-[[4-(trifluoromethyl)phenyl]methyl]azepane.
Chemical Property Profile of 1-[4-(Trifluoromethyl)benzyl]azepane
Property Insights of 1-[4-(Trifluoromethyl)benzyl]azepane
The XLogP value of 4.0814 indicates that 1-[4-(Trifluoromethyl)benzyl]azepane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 1-[4-(Trifluoromethyl)benzyl]azepane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(Trifluoromethyl)benzyl]azepane has 0 hydrogen bond donor(s) and 1 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-(Trifluoromethyl)benzyl]azepane?
The CAS number of 1-[4-(Trifluoromethyl)benzyl]azepane is 414880-56-1.
What is the molecular formula of 1-[4-(Trifluoromethyl)benzyl]azepane?
The molecular formula of 1-[4-(Trifluoromethyl)benzyl]azepane is C14H18F3N.
What is the molecular weight of 1-[4-(Trifluoromethyl)benzyl]azepane?
The molecular weight of 1-[4-(Trifluoromethyl)benzyl]azepane is 257.14 g/mol.
Where can I buy 1-[4-(Trifluoromethyl)benzyl]azepane?
You can request a quote for 1-[4-(Trifluoromethyl)benzyl]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-(Trifluoromethyl)benzyl]azepane?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(Trifluoromethyl)benzyl]azepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.