4-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile
TL;DR: 4-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile (CAS 356084-74-7) is a chemical compound with molecular formula C22H15N5O and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzotriazol-1-yl)-5-(3,4-dimethylphenoxy)benzene-1,2-dicarbonitrile
Also Known As: TimTec1_005667, A2734/0116086, 4-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile, 4-(benzotriazol-1-yl)-5-(3,4-dimethylphenoxy)benzene-1,2-dicarbonitrile, 4-(1H-1,2,3-BENZOTRIAZOL-1-YL)-5-(3,4-DIMETHYLPHENOXY)BENZENE-1,2-DICARBONITRILE
| Molecular Formula | C22H15N5O |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 4.573 |
| Topological Polar Surface Area | 87.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.12766 |
| Heavy Atoms | 28 |
| Complexity | 1290.7592 |
Chemical Identifiers
| CAS Number | 356084-74-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3C4=CC=CC=C4N=N3)C |
Product Overview
4-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile (CAS 356084-74-7), with molecular formula C22H15N5O and molecular weight 365.13 g/mol. IUPAC: 4-(benzotriazol-1-yl)-5-(3,4-dimethylphenoxy)benzene-1,2-dicarbonitrile.
Chemical Property Profile of 4-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile
Property Insights of 4-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile
The XLogP value of 4.573 indicates that 4-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile 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-(3,4-dimethyl-phenoxy)-phthalonitrile. Following Lipinski's Rule of Five, 4-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile 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-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile?
The CAS number of 4-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile is 356084-74-7.
What is the molecular formula of 4-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile?
The molecular formula of 4-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile is C22H15N5O.
What is the molecular weight of 4-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile?
The molecular weight of 4-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile is 365.13 g/mol.
Where can I buy 4-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile?
You can request a quote for 4-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile 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-(3,4-dimethyl-phenoxy)-phthalonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzotriazol-1-yl-5-(3,4-dimethyl-phenoxy)-phthalonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.