(E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate
TL;DR: (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate (CAS 340216-91-3) is a chemical compound with molecular formula C20H20N4O4 and molecular weight 380.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]benzoate
Also Known As: (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate, ethyl 2-({2-methoxy-5-[(E)-(1H-1,2,4-triazol-1-ylimino)methyl]benzyl}oxy)benzoate, ethyl 2-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]benzoate
| Molecular Formula | C20H20N4O4 |
|---|---|
| Molecular Weight | 380.15 g/mol |
| LogP | 2.9246 |
| Topological Polar Surface Area | 87.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 380.14847 |
| Heavy Atoms | 28 |
| Complexity | 954.59937 |
Chemical Identifiers
| CAS Number | 340216-91-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1OCC2=C(C=CC(=C2)/C=N/N3C=NC=N3)OC |
Product Overview
(E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate (CAS 340216-91-3), with molecular formula C20H20N4O4 and molecular weight 380.15 g/mol. IUPAC: ethyl 2-[[2-methoxy-5-[(E)-1,2,4-triazol-1-yliminomethyl]phenyl]methoxy]benzoate.
Chemical Property Profile of (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate
Property Insights of (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate
The XLogP value of 2.9246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate. The TPSA of 87.83 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate 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 (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate?
The CAS number of (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate is 340216-91-3.
What is the molecular formula of (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate?
The molecular formula of (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate is C20H20N4O4.
What is the molecular weight of (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate?
The molecular weight of (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate is 380.15 g/mol.
Where can I buy (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate?
You can request a quote for (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-((5-(((1H-1,2,4-triazol-1-yl)imino)methyl)-2-methoxybenzyl)oxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.