(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone
TL;DR: (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone (CAS 847847-52-3) is a chemical compound with molecular formula C25H25N5O5 and molecular weight 475.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Also Known As: (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone, [5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone, {5-[(4-methoxybenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}(3,4,5-trimethoxyphenyl)methanone, N-[(4-METHOXYPHENYL)METHYL]-3-(PYRIDIN-3-YL)-1-(3,4,5-TRIMETHOXYBENZOYL)-1H-1,2,4-TRIAZOL-5-AMINE
| Molecular Formula | C25H25N5O5 |
|---|---|
| Molecular Weight | 475.19 g/mol |
| LogP | 3.6751 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.18558 |
| Heavy Atoms | 35 |
| Complexity | 1280.8345 |
Chemical Identifiers
| CAS Number | 847847-52-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CN=CC=C4 |
Product Overview
(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone (CAS 847847-52-3), with molecular formula C25H25N5O5 and molecular weight 475.19 g/mol. IUPAC: [5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
Chemical Property Profile of (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone
Property Insights of (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone
The XLogP value of 3.6751 indicates that (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone. Following Lipinski's Rule of Five, (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone has 1 hydrogen bond donor(s) and 9 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 (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone?
The CAS number of (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone is 847847-52-3.
What is the molecular formula of (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone?
The molecular formula of (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone is C25H25N5O5.
What is the molecular weight of (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone?
The molecular weight of (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone is 475.19 g/mol.
Where can I buy (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone?
You can request a quote for (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.