![4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile structure](/static/products/4924/492447-08-2.webp)
4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile
TL;DR: 4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile (CAS 492447-08-2) is a chemical compound with molecular formula C27H17N5O and molecular weight 427.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile
Also Known As: 4-(benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile, 4-(1H-1,2,3-benzotriazol-1-yl)-5-[(4'-methyl[1,1'-biphenyl]-4-yl)oxy]phthalonitrile, 4-(1H-benzotriazol-1-yl)-5-[(4'-methylbiphenyl-4-yl)oxy]benzene-1,2-dicarbonitrile, 4-(1-benzotriazolyl)5-{[4'-methyl(1,1'-biphenyl)-4-yl]oxy}phthalonitrile, 4-(1H-benzo[d][1,2,3]triazol-1-yl)-5-((4'-methyl-[1,1'-biphenyl]-4-yl)oxy)phthalonitrile
| Molecular Formula | C27H17N5O |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 5.93158 |
| Topological Polar Surface Area | 87.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.1433 |
| Heavy Atoms | 33 |
| Complexity | 1552.2448 |
Chemical Identifiers
| CAS Number | 492447-08-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CC=C(C=C2)OC3=C(C=C(C(=C3)C#N)C#N)N4C5=CC=CC=C5N=N4 |
Product Overview
4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile (CAS 492447-08-2), with molecular formula C27H17N5O and molecular weight 427.14 g/mol. IUPAC: 4-(benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile
Property Insights of 4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile
The XLogP value of 5.93158 indicates that 4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile?
The CAS number of 4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile is 492447-08-2.
What is the molecular formula of 4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile?
The molecular formula of 4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile is C27H17N5O.
What is the molecular weight of 4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile?
The molecular weight of 4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile is 427.14 g/mol.
Where can I buy 4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile?
You can request a quote for 4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]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-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzotriazol-1-yl)-5-[4-(4-methylphenyl)phenoxy]benzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.