![4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile structure](/static/products/339/339013-23-9.png)
4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile
TL;DR: 4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile (CAS 339013-23-9) is a chemical compound with molecular formula C22H14N4O and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,6-diphenyl-1,2,4-triazin-5-yl)oxy]benzonitrile
Also Known As: Bionet1_003203, 4-[(3,6-diphenyl-1,2,4-triazin-5-yl)oxy]benzonitrile, 4-[(3,6-diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile, 7K-363S, 4-(3,6-Diphenyl-1,2,4-triazin-5-yl)oxybenzenecarbonitrile
| Molecular Formula | C22H14N4O |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 4.86958 |
| Topological Polar Surface Area | 71.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.11676 |
| Heavy Atoms | 27 |
| Complexity | 1088.7085 |
Chemical Identifiers
| CAS Number | 339013-23-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N=C(N=N2)C3=CC=CC=C3)OC4=CC=C(C=C4)C#N |
Product Overview
4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile (CAS 339013-23-9), with molecular formula C22H14N4O and molecular weight 350.12 g/mol. IUPAC: 4-[(3,6-diphenyl-1,2,4-triazin-5-yl)oxy]benzonitrile.
Chemical Property Profile of 4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile
Property Insights of 4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile
The XLogP value of 4.86958 indicates that 4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile. Following Lipinski's Rule of Five, 4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile has 0 hydrogen bond donor(s) and 5 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 4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile?
The CAS number of 4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile is 339013-23-9.
What is the molecular formula of 4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile?
The molecular formula of 4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile is C22H14N4O.
What is the molecular weight of 4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile?
The molecular weight of 4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile is 350.12 g/mol.
Where can I buy 4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile?
You can request a quote for 4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3,6-Diphenyl-1,2,4-triazin-5-yl)oxy]benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.