1-(3,5-bis((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone
TL;DR: 1-(3,5-bis((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone (CAS 768294-84-4) is a chemical compound with molecular formula C18H17Cl2N5O and molecular weight 389.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-bis[(2-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]ethanone
Also Known As: 1-(3,5-bis((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone, 1-{3,5-bis[(2-chlorobenzyl)amino]-1H-1,2,4-triazol-1-yl}ethanone, 1-[3,5-bis[(2-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]ethanone
| Molecular Formula | C18H17Cl2N5O |
|---|---|
| Molecular Weight | 389.08 g/mol |
| LogP | 4.4692 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.08102 |
| Heavy Atoms | 26 |
| Complexity | 925.4498 |
Chemical Identifiers
| CAS Number | 768294-84-4 |
|---|---|
| SMILES | CC(=O)N1C(=NC(=N1)NCC2=CC=CC=C2Cl)NCC3=CC=CC=C3Cl |
Product Overview
1-(3,5-bis((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone (CAS 768294-84-4), with molecular formula C18H17Cl2N5O and molecular weight 389.08 g/mol. IUPAC: 1-[3,5-bis[(2-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]ethanone.
Chemical Property Profile of 1-(3,5-bis((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone
Property Insights of 1-(3,5-bis((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone
The XLogP value of 4.4692 indicates that 1-(3,5-bis((2-chlorobenzyl)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 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-bis((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone. Following Lipinski's Rule of Five, 1-(3,5-bis((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone has 2 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 1-(3,5-bis((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone?
The CAS number of 1-(3,5-bis((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone is 768294-84-4.
What is the molecular formula of 1-(3,5-bis((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone?
The molecular formula of 1-(3,5-bis((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone is C18H17Cl2N5O.
What is the molecular weight of 1-(3,5-bis((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone?
The molecular weight of 1-(3,5-bis((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone is 389.08 g/mol.
Where can I buy 1-(3,5-bis((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone?
You can request a quote for 1-(3,5-bis((2-chlorobenzyl)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((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-bis((2-chlorobenzyl)amino)-1H-1,2,4-triazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.