1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-
TL;DR: 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)- (CAS 95388-86-6) is a chemical compound with molecular formula C8H8F9N3 and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-4,4,6-tris(trifluoromethyl)-1,5,6-triazabicyclo[3.1.0]hexane
Also Known As: 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-, 2,2-dimethyl-4,4,6-tris(trifluoromethyl)-1,5,6-triazabicyclo[3.1.0]hexane, 1,5,6-Triazabicyclo[3.1.0]hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-, 1,5,6-Triazabicyclo[3.1.0]hexane, 2,2-dimethyl-4,4,6-tris(trifluoromethyl)-, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-1,5,6-triazabicyclo[3.1.0]hexane
| Molecular Formula | C8H8F9N3 |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 14.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 317.05746 |
| Heavy Atoms | 20 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 95388-86-6 |
|---|---|
| SMILES | CC1(CC(N2N1N2C(F)(F)F)(C(F)(F)F)C(F)(F)F)C |
| InChIKey | IYRJFKPSRCNEOA-UHFFFAOYSA-N |
Product Overview
1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)- (CAS 95388-86-6), with molecular formula C8H8F9N3 and molecular weight 317.06 g/mol. IUPAC: 2,2-dimethyl-4,4,6-tris(trifluoromethyl)-1,5,6-triazabicyclo[3.1.0]hexane.
Chemical Property Profile of 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-
Property Insights of 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-
The XLogP value of 4.8 indicates that 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 14.8 Ų, 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)- has 0 hydrogen bond donor(s) and 9 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 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-?
The CAS number of 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)- is 95388-86-6.
What is the molecular formula of 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-?
The molecular formula of 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)- is C8H8F9N3.
What is the molecular weight of 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-?
The molecular weight of 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)- is 317.06 g/mol.
Where can I buy 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-?
You can request a quote for 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.