![3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine structure](/static/products/1218/121845-59-8.webp)
3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine
TL;DR: 3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine (CAS 121845-59-8) is a chemical compound with molecular formula C13H7F3N4 and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(trifluoromethyl)phenyl]pyrido[3,4-e][1,2,4]triazine
Also Known As: 3-[4-(trifluoromethyl)phenyl]pyrido[3,4-e][1,2,4]triazine, 3-(4-(TRIFLUOROMETHYL)PHENYL)PYRIDO[3,4-E][1,2,4]TRIAZINE, CIS-TRI-N-BUTYL(1-PROPENYL)TIN, 3-(4-Trifluoromethyl-phenyl)-pyrido(3,4-e)(1,2,4)triazine, Pyrido[3,4-e]-1,2,4-triazine,3-[4-(trifluoromethyl)phenyl]-
| Molecular Formula | C13H7F3N4 |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.0623 |
| Heavy Atoms | 20 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 121845-59-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(C=CN=C3)N=N2)C(F)(F)F |
| InChIKey | KXYKQBMMHPXHPU-UHFFFAOYSA-N |
Product Overview
3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine (CAS 121845-59-8), with molecular formula C13H7F3N4 and molecular weight 276.06 g/mol. IUPAC: 3-[4-(trifluoromethyl)phenyl]pyrido[3,4-e][1,2,4]triazine.
Chemical Property Profile of 3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine
Property Insights of 3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine. With a topological polar surface area (TPSA) of 51.6 Ų, 3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine has 0 hydrogen bond donor(s) and 7 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)pyrido[3,4-E][1,2,4]triazine?
The CAS number of 3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine is 121845-59-8.
What is the molecular formula of 3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine?
The molecular formula of 3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine is C13H7F3N4.
What is the molecular weight of 3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine?
The molecular weight of 3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine is 276.06 g/mol.
Where can I buy 3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine?
You can request a quote for 3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine 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)pyrido[3,4-E][1,2,4]triazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(Trifluoromethyl)phenyl)pyrido[3,4-E][1,2,4]triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.