![4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile structure](/static/products/3560/356079-06-6.webp)
4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile
TL;DR: 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile (CAS 356079-06-6) is a chemical compound with molecular formula C20H13N5O3 and molecular weight 371.10 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]-3-nitrobenzonitrile
Also Known As: 4-[2-(benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile, 4-[2-(2H-benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile, 4-[2-(2H-1,2,3-benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile, 4-(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenoxy)-3-nitrobenzonitrile
| Molecular Formula | C20H13N5O3 |
|---|---|
| Molecular Weight | 371.10 g/mol |
| LogP | 4.3011 |
| Topological Polar Surface Area | 106.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.10184 |
| Heavy Atoms | 28 |
| Complexity | 1223.4188 |
Chemical Identifiers
| CAS Number | 356079-06-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C#N)[N+](=O)[O-])N3N=C4C=CC=CC4=N3 |
Product Overview
4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile (CAS 356079-06-6), with molecular formula C20H13N5O3 and molecular weight 371.10 g/mol. IUPAC: 4-[2-(benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile.
Chemical Property Profile of 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile
Property Insights of 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile
The XLogP value of 4.3011 indicates that 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile. Following Lipinski's Rule of Five, 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile 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-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile?
The CAS number of 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile is 356079-06-6.
What is the molecular formula of 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile?
The molecular formula of 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile is C20H13N5O3.
What is the molecular weight of 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile?
The molecular weight of 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile is 371.10 g/mol.
Where can I buy 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile?
You can request a quote for 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile 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]-3-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(Benzotriazol-2-yl)-4-methylphenoxy]-3-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.