(5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone
TL;DR: (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone (CAS 898913-98-9) is a chemical compound with molecular formula C22H18FN5O2 and molecular weight 403.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone
Also Known As: (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone, [5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone, {5-[(4-fluorobenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}(2-methoxyphenyl)methanone, N-[(4-FLUOROPHENYL)METHYL]-1-(2-METHOXYBENZOYL)-3-(PYRIDIN-3-YL)-1H-1,2,4-TRIAZOL-5-AMINE, US9687479, 368 N-[(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)carbonyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
| Molecular Formula | C22H18FN5O2 |
|---|---|
| Molecular Weight | 403.14 g/mol |
| LogP | 3.7884 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.14444 |
| Heavy Atoms | 30 |
| Complexity | 1159.8837 |
Chemical Identifiers
| CAS Number | 898913-98-9 |
|---|---|
| SMILES | COC1=CC=CC=C1C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)F |
Product Overview
(5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone (CAS 898913-98-9), with molecular formula C22H18FN5O2 and molecular weight 403.14 g/mol. IUPAC: [5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-(2-methoxyphenyl)methanone.
Chemical Property Profile of (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone
Property Insights of (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone
The XLogP value of 3.7884 indicates that (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone. Following Lipinski's Rule of Five, (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone has 1 hydrogen bond donor(s) and 6 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-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone?
The CAS number of (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone is 898913-98-9.
What is the molecular formula of (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone?
The molecular formula of (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone is C22H18FN5O2.
What is the molecular weight of (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone?
The molecular weight of (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone is 403.14 g/mol.
Where can I buy (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone?
You can request a quote for (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)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-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)(2-methoxyphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.