4-(3-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile
TL;DR: 4-(3-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile (CAS 448914-39-4) is a chemical compound with molecular formula C22H13N5O2 and molecular weight 379.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile
Also Known As: 4-(3-acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile, 4-(3-acetylphenoxy)-5-(1H-1,2,3-benzotriazol-1-yl)phthalonitrile, AJ-292/41206421, 4-(3-acetylphenoxy)-5-(1H-benzo[d][1,2,3]triazol-1-yl)phthalonitrile, 4-(3-acetylphenoxy)-5-(1H-benzotriazol-1-yl)benzene-1,2-dicarbonitrile
| Molecular Formula | C22H13N5O2 |
|---|---|
| Molecular Weight | 379.11 g/mol |
| LogP | 4.15876 |
| Topological Polar Surface Area | 104.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.10693 |
| Heavy Atoms | 29 |
| Complexity | 1341.5643 |
Chemical Identifiers
| CAS Number | 448914-39-4 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3C4=CC=CC=C4N=N3 |
Product Overview
4-(3-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile (CAS 448914-39-4), with molecular formula C22H13N5O2 and molecular weight 379.11 g/mol. IUPAC: 4-(3-acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-(3-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile
Property Insights of 4-(3-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile
The XLogP value of 4.15876 indicates that 4-(3-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile. Following Lipinski's Rule of Five, 4-(3-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile has 0 hydrogen bond donor(s) and 6 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-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile?
The CAS number of 4-(3-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile is 448914-39-4.
What is the molecular formula of 4-(3-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile?
The molecular formula of 4-(3-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile is C22H13N5O2.
What is the molecular weight of 4-(3-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile?
The molecular weight of 4-(3-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile is 379.11 g/mol.
Where can I buy 4-(3-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile?
You can request a quote for 4-(3-Acetylphenoxy)-5-(benzotriazol-1-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-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Acetylphenoxy)-5-(benzotriazol-1-yl)benzene-1,2-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.