1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone
TL;DR: 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone (CAS 860463-22-5) is a chemical compound with molecular formula C20H23N5O3 and molecular weight 381.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-bis[(3-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]ethanone
Also Known As: 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone, 1-{3,5-bis[(3-methoxybenzyl)amino]-1H-1,2,4-triazol-1-yl}ethanone, 1-[3,5-bis[(3-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]ethanone
| Molecular Formula | C20H23N5O3 |
|---|---|
| Molecular Weight | 381.18 g/mol |
| LogP | 3.1796 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 381.18008 |
| Heavy Atoms | 28 |
| Complexity | 954.51917 |
Chemical Identifiers
| CAS Number | 860463-22-5 |
|---|---|
| SMILES | CC(=O)N1C(=NC(=N1)NCC2=CC(=CC=C2)OC)NCC3=CC(=CC=C3)OC |
Product Overview
1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone (CAS 860463-22-5), with molecular formula C20H23N5O3 and molecular weight 381.18 g/mol. IUPAC: 1-[3,5-bis[(3-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]ethanone.
Chemical Property Profile of 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone
Property Insights of 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone
The XLogP value of 3.1796 indicates that 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone. Following Lipinski's Rule of Five, 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone has 2 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 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone?
The CAS number of 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone is 860463-22-5.
What is the molecular formula of 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone?
The molecular formula of 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone is C20H23N5O3.
What is the molecular weight of 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone?
The molecular weight of 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone is 381.18 g/mol.
Where can I buy 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone?
You can request a quote for 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-bis((3-methoxybenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.