![N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine structure](/static/products/690/690671-25-1.png)
N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine
TL;DR: N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine (CAS 690671-25-1) is a chemical compound with molecular formula C17H15N5O4 and molecular weight 353.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine, (E)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine, 1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
| Molecular Formula | C17H15N5O4 |
|---|---|
| Molecular Weight | 353.11 g/mol |
| LogP | 2.6561 |
| Topological Polar Surface Area | 104.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.1124 |
| Heavy Atoms | 26 |
| Complexity | 907.4125 |
Chemical Identifiers
| CAS Number | 690671-25-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=N/N2C=NN=C2)OCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine (CAS 690671-25-1), with molecular formula C17H15N5O4 and molecular weight 353.11 g/mol. IUPAC: (E)-1-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine
Property Insights of N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine
The XLogP value of 2.6561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine. The TPSA of 104.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine has 0 hydrogen bond donor(s) and 7 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 N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine?
The CAS number of N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine is 690671-25-1.
What is the molecular formula of N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine?
The molecular formula of N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine is C17H15N5O4.
What is the molecular weight of N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine?
The molecular weight of N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine is 353.11 g/mol.
Where can I buy N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine?
You can request a quote for N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-{3-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}methylidene]-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.