1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
TL;DR: 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine (CAS 838817-47-3) 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.
(4-fluorophenyl)-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
Also Known As: 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine, (4-fluorophenyl)(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone, (4-fluorophenyl)-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone, (4-fluorophenyl){5-[(4-methoxybenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}methanone, 1-(4-FLUOROBENZOYL)-N-[(4-METHOXYPHENYL)METHYL]-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 | 1142.6337 |
Chemical Identifiers
| CAS Number | 838817-47-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2=NC(=NN2C(=O)C3=CC=C(C=C3)F)C4=CN=CC=C4 |
Product Overview
1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine (CAS 838817-47-3), with molecular formula C22H18FN5O2 and molecular weight 403.14 g/mol. IUPAC: (4-fluorophenyl)-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone.
Chemical Property Profile of 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
Property Insights of 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
The XLogP value of 3.7884 indicates that 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine 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 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine 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 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine?
The CAS number of 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine is 838817-47-3.
What is the molecular formula of 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine?
The molecular formula of 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine is C22H18FN5O2.
What is the molecular weight of 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine?
The molecular weight of 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine is 403.14 g/mol.
Where can I buy 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine?
You can request a quote for 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorobenzoyl)-N-(4-methoxybenzyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.