![3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane structure](/static/products/395/395059-39-9.png)
3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane
TL;DR: 3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane (CAS 395059-39-9) is a chemical compound with molecular formula C13H15F3N2 and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane
Also Known As: SDCCGSBI-0663213.P001, 3-[4-(trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane, 3-(4-(trifluoromethyl)phenyl)-3,8-diazabicyclo[3.2.1]octane
| Molecular Formula | C13H15F3N2 |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 2.646 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.11874 |
| Heavy Atoms | 18 |
| Complexity | 414.85767 |
Chemical Identifiers
| CAS Number | 395059-39-9 |
|---|---|
| SMILES | C1CC2CN(CC1N2)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane (CAS 395059-39-9), with molecular formula C13H15F3N2 and molecular weight 256.12 g/mol. IUPAC: 3-[4-(trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane.
Chemical Property Profile of 3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane
Property Insights of 3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane
The XLogP value of 2.646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane. With a topological polar surface area (TPSA) of 15.27 Ų, 3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane has 1 hydrogen bond donor(s) and 2 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 3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane?
The CAS number of 3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane is 395059-39-9.
What is the molecular formula of 3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane?
The molecular formula of 3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane is C13H15F3N2.
What is the molecular weight of 3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane?
The molecular weight of 3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane is 256.12 g/mol.
Where can I buy 3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane?
You can request a quote for 3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Trifluoromethyl)phenyl]-3,8-diazabicyclo[3.2.1]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.