(3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone
TL;DR: (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone (CAS 879590-54-2) is a chemical compound with molecular formula C24H23N5O4 and molecular weight 445.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
Also Known As: (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone, (3,4-dimethoxyphenyl){5-[(4-methoxybenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}methanone, (3,4-dimethoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
| Molecular Formula | C24H23N5O4 |
|---|---|
| Molecular Weight | 445.18 g/mol |
| LogP | 3.6665 |
| Topological Polar Surface Area | 100.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.17502 |
| Heavy Atoms | 33 |
| Complexity | 1239.7115 |
Chemical Identifiers
| CAS Number | 879590-54-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC(=C(C=C3)OC)OC)C4=CN=CC=C4 |
Product Overview
(3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone (CAS 879590-54-2), with molecular formula C24H23N5O4 and molecular weight 445.18 g/mol. IUPAC: (3,4-dimethoxyphenyl)-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone.
Chemical Property Profile of (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone
Property Insights of (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone
The XLogP value of 3.6665 indicates that (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone. Following Lipinski's Rule of Five, (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone has 1 hydrogen bond donor(s) and 8 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 (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone?
The CAS number of (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone is 879590-54-2.
What is the molecular formula of (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone?
The molecular formula of (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone is C24H23N5O4.
What is the molecular weight of (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone?
The molecular weight of (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone is 445.18 g/mol.
Where can I buy (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone?
You can request a quote for (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3,4-dimethoxyphenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.