2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine
TL;DR: 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine (CAS 354770-98-2) is a chemical compound with molecular formula C12H5F9N2O and molecular weight 364.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine
Also Known As: 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine, 2-phenyl-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine
| Molecular Formula | C12H5F9N2O |
|---|---|
| Molecular Weight | 364.03 g/mol |
| LogP | 4.2451 |
| Topological Polar Surface Area | 33.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 364.02582 |
| Heavy Atoms | 24 |
| Complexity | 656.49945 |
Chemical Identifiers
| CAS Number | 354770-98-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(N=C(O2)C(F)(F)F)(C(F)(F)F)C(F)(F)F |
Product Overview
2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine (CAS 354770-98-2), with molecular formula C12H5F9N2O and molecular weight 364.03 g/mol. IUPAC: 2-phenyl-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazine.
Chemical Property Profile of 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine
Property Insights of 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine
The XLogP value of 4.2451 indicates that 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.95 Ų, 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine has 0 hydrogen bond donor(s) and 3 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 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine?
The CAS number of 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine is 354770-98-2.
What is the molecular formula of 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine?
The molecular formula of 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine is C12H5F9N2O.
What is the molecular weight of 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine?
The molecular weight of 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine is 364.03 g/mol.
Where can I buy 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine?
You can request a quote for 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine?
Yes, KEHONG BIO provides custom synthesis services for 2-phenyl-4,4,6-tris(trifluoromethyl)-4H-1,3,5-oxadiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.