![[N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine structure](/static/products/957/957514-03-3.png)
[N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine
TL;DR: [N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine (CAS 957514-03-3) is a chemical compound with molecular formula C16H16Cl2N6O and molecular weight 378.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(3,5-dichloro-2-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]methanimine
Also Known As: [N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine, (E)-1-(3,5-dichloro-2-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]methanimine, N-(3,5-dichloro-2-methoxybenzylidene)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine, 1-(3,5-dichloro-2-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]methanimine
| Molecular Formula | C16H16Cl2N6O |
|---|---|
| Molecular Weight | 378.08 g/mol |
| LogP | 3.58666 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.07626 |
| Heavy Atoms | 25 |
| Complexity | 959.9334 |
Chemical Identifiers
| CAS Number | 957514-03-3 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NN=C(N2/N=C/C3=C(C(=CC(=C3)Cl)Cl)OC)C)C |
Product Overview
[N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine (CAS 957514-03-3), with molecular formula C16H16Cl2N6O and molecular weight 378.08 g/mol. IUPAC: (E)-1-(3,5-dichloro-2-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1,2,4-triazol-4-yl]methanimine.
Chemical Property Profile of [N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine
Property Insights of [N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine
The XLogP value of 3.58666 indicates that [N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.12 Ų falls within the moderate polarity range, balancing permeability and solubility for [N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine. Following Lipinski's Rule of Five, [N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine 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 [N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine?
The CAS number of [N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine is 957514-03-3.
What is the molecular formula of [N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine?
The molecular formula of [N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine is C16H16Cl2N6O.
What is the molecular weight of [N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine?
The molecular weight of [N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine is 378.08 g/mol.
Where can I buy [N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine?
You can request a quote for [N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-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)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for [N(E)]-N-[(3,5-Dichloro-2-methoxyphenyl)methylene]-3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.