4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile
TL;DR: 4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile (CAS 287916-59-0) is a chemical compound with molecular formula C22H13N5 and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile
Also Known As: TimTec1_005392, BAS 01860030, 4-(3,5-Diphenyl-[1,2,4]triazol-4-yl)-phthalonitrile, 4-(3,5-diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile, 4-(3,5-Diphenyl-4H-1,2,4-triazol-4-yl)phthalonitrile
| Molecular Formula | C22H13N5 |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.1171 |
| Heavy Atoms | 27 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 287916-59-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(N2C3=CC(=C(C=C3)C#N)C#N)C4=CC=CC=C4 |
| InChIKey | SXYLUHXVLAHSNH-UHFFFAOYSA-N |
Product Overview
4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile (CAS 287916-59-0), with molecular formula C22H13N5 and molecular weight 347.12 g/mol. IUPAC: 4-(3,5-diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile
Property Insights of 4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile
The XLogP value of 3.8 indicates that 4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile has 0 hydrogen bond donor(s) and 4 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-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile?
The CAS number of 4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile is 287916-59-0.
What is the molecular formula of 4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile?
The molecular formula of 4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile is C22H13N5.
What is the molecular weight of 4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile?
The molecular weight of 4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile is 347.12 g/mol.
Where can I buy 4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile?
You can request a quote for 4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-Diphenyl-1,2,4-triazol-4-yl)benzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.