![3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane structure](/static/products/1764/176486-64-9.webp)
3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane
TL;DR: 3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane (CAS 176486-64-9) is a chemical compound with molecular formula C8H6BrF6N and molecular weight 308.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.02,6]heptane
Also Known As: J1.043.449A, A2780/0117617, 3-bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane, 1-Azatricyclo[2.2.1.02,6]heptane, 3-bromo-7,7-bis(trifluoromethyl)-, 3-bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.02,6]heptane
| Molecular Formula | C8H6BrF6N |
|---|---|
| Molecular Weight | 308.96 g/mol |
| LogP | 2.6996 |
| Topological Polar Surface Area | 3.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 308.95877 |
| Heavy Atoms | 16 |
| Complexity | 335.41815 |
Chemical Identifiers
| CAS Number | 176486-64-9 |
|---|---|
| SMILES | C1C2C(C3C1N3C2(C(F)(F)F)C(F)(F)F)Br |
Product Overview
3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane (CAS 176486-64-9), with molecular formula C8H6BrF6N and molecular weight 308.96 g/mol. IUPAC: 3-bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.02,6]heptane.
Chemical Property Profile of 3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane
Property Insights of 3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane
The XLogP value of 2.6996 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane. With a topological polar surface area (TPSA) of 3.01 Ų, 3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane 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 3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane?
The CAS number of 3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane is 176486-64-9.
What is the molecular formula of 3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane?
The molecular formula of 3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane is C8H6BrF6N.
What is the molecular weight of 3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane?
The molecular weight of 3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane is 308.96 g/mol.
Where can I buy 3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane?
You can request a quote for 3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-7,7-bis(trifluoromethyl)-1-azatricyclo[2.2.1.0~2,6~]heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.