N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine
TL;DR: N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine (CAS 879072-38-5) is a chemical compound with molecular formula C17H16ClFN4O2 and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine
Also Known As: ASN 15391202, 1H-1,2,4-triazol-3-yl({3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl}me thyl)amine, N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine, N-{3-chloro-4-[(2-fluorobenzyl)oxy]-5-methoxybenzyl}-1H-1,2,4-triazol-3-amine, N-({3-CHLORO-4-[(2-FLUOROPHENYL)METHOXY]-5-METHOXYPHENYL}METHYL)-1H-1,2,4-TRIAZOL-3-AMINE
| Molecular Formula | C17H16ClFN4O2 |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 3.7969 |
| Topological Polar Surface Area | 72.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 362.09457 |
| Heavy Atoms | 25 |
| Complexity | 842.6692 |
Chemical Identifiers
| CAS Number | 879072-38-5 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CNC2=NC=NN2)Cl)OCC3=CC=CC=C3F |
Product Overview
N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine (CAS 879072-38-5), with molecular formula C17H16ClFN4O2 and molecular weight 362.09 g/mol. IUPAC: N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine
Property Insights of N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine
The XLogP value of 3.7969 indicates that N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.06 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine 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 N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine?
The CAS number of N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine is 879072-38-5.
What is the molecular formula of N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine?
The molecular formula of N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine is C17H16ClFN4O2.
What is the molecular weight of N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine?
The molecular weight of N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine is 362.09 g/mol.
Where can I buy N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine?
You can request a quote for N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-((2-fluorobenzyl)oxy)-5-methoxybenzyl)-1H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.