![4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile structure](/static/products/3004/300405-96-3.webp)
4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile
TL;DR: 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile (CAS 300405-96-3) is a chemical compound with molecular formula C21H13N5O and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile
Also Known As: BAS 00085058, 4-[2-(benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile, 4-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]phthalonitrile, AE-848/34783039, BRD-K15782413-001-01-0
| Molecular Formula | C21H13N5O |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 4.26458 |
| Topological Polar Surface Area | 87.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.112 |
| Heavy Atoms | 27 |
| Complexity | 1210.6399 |
Chemical Identifiers
| CAS Number | 300405-96-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC2=CC(=C(C=C2)C#N)C#N)N3N=C4C=CC=CC4=N3 |
Product Overview
4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile (CAS 300405-96-3), with molecular formula C21H13N5O and molecular weight 351.11 g/mol. IUPAC: 4-[2-(benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile
Property Insights of 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile
The XLogP value of 4.26458 indicates that 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]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-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile 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-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile?
The CAS number of 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile is 300405-96-3.
What is the molecular formula of 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile?
The molecular formula of 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile is C21H13N5O.
What is the molecular weight of 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile?
The molecular weight of 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile is 351.11 g/mol.
Where can I buy 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile?
You can request a quote for 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]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-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]benzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.