1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate
TL;DR: 1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate (CAS 1048345-12-5) is a chemical compound with molecular formula C21H29F3N2O4 and molecular weight 430.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxalic acid;1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]azepane
Also Known As: 1-(1-(2-(trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate, IUPAC: Oxalic Acid; 1-[1-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidyl]azepane, oxalic acid; 1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]azepane
| Molecular Formula | C21H29F3N2O4 |
|---|---|
| Molecular Weight | 430.21 g/mol |
| LogP | 3.7014 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 430.20795 |
| Heavy Atoms | 30 |
| Complexity | 683.73706 |
Chemical Identifiers
| CAS Number | 1048345-12-5 |
|---|---|
| SMILES | C1CCCN(CC1)C2CCN(CC2)CC3=CC=CC=C3C(F)(F)F.C(=O)(C(=O)O)O |
Product Overview
1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate (CAS 1048345-12-5), with molecular formula C21H29F3N2O4 and molecular weight 430.21 g/mol. IUPAC: oxalic acid;1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]azepane.
Chemical Property Profile of 1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate
Property Insights of 1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate
The XLogP value of 3.7014 indicates that 1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate. Following Lipinski's Rule of Five, 1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate has 2 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 1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate?
The CAS number of 1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate is 1048345-12-5.
What is the molecular formula of 1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate?
The molecular formula of 1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate is C21H29F3N2O4.
What is the molecular weight of 1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate?
The molecular weight of 1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate is 430.21 g/mol.
Where can I buy 1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate?
You can request a quote for 1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-(2-(Trifluoromethyl)benzyl)piperidin-4-yl)azepane oxalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.