1,5,6-Triazabicyclo(3.1.0)hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl-
TL;DR: 1,5,6-Triazabicyclo(3.1.0)hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl- (CAS 95388-88-8) is a chemical compound with molecular formula C13H10F9N3 and molecular weight 379.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-phenyl-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-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl-, 1,5,6-Triazabicyclo[3.1.0]hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl-, 2-methyl-2-phenyl-4,4,6-tris(trifluoromethyl)-1,5,6-triazabicyclo[3.1.0]hexane, 1,5,6-Triazabicyclo[3.1.0]hexane, 2-methyl-2-phenyl-4,4,6-tris(trifluoromethyl)
| Molecular Formula | C13H10F9N3 |
|---|---|
| Molecular Weight | 379.07 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 14.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 379.0731 |
| Heavy Atoms | 25 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 95388-88-8 |
|---|---|
| SMILES | CC1(CC(N2N1N2C(F)(F)F)(C(F)(F)F)C(F)(F)F)C3=CC=CC=C3 |
| InChIKey | PTIRVBOPZPHAQT-UHFFFAOYSA-N |
Product Overview
1,5,6-Triazabicyclo(3.1.0)hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl- (CAS 95388-88-8), with molecular formula C13H10F9N3 and molecular weight 379.07 g/mol. IUPAC: 2-methyl-2-phenyl-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-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl-
Property Insights of 1,5,6-Triazabicyclo(3.1.0)hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl-
The XLogP value of 5.9 indicates that 1,5,6-Triazabicyclo(3.1.0)hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl- 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-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl- 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-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl- has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,5,6-Triazabicyclo(3.1.0)hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl-?
The CAS number of 1,5,6-Triazabicyclo(3.1.0)hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl- is 95388-88-8.
What is the molecular formula of 1,5,6-Triazabicyclo(3.1.0)hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl-?
The molecular formula of 1,5,6-Triazabicyclo(3.1.0)hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl- is C13H10F9N3.
What is the molecular weight of 1,5,6-Triazabicyclo(3.1.0)hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl-?
The molecular weight of 1,5,6-Triazabicyclo(3.1.0)hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl- is 379.07 g/mol.
Where can I buy 1,5,6-Triazabicyclo(3.1.0)hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl-?
You can request a quote for 1,5,6-Triazabicyclo(3.1.0)hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl- 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-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,5,6-Triazabicyclo(3.1.0)hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.