![(3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone structure](/static/products/898/898912-95-3.png)
(3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
TL;DR: (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone (CAS 898912-95-3) is a chemical compound with molecular formula C23H20FN5O3 and molecular weight 433.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
Also Known As: (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone, (3,4-dimethoxyphenyl)(5-((4-fluorobenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)methanone, (3,4-dimethoxyphenyl){5-[(4-fluorobenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}methanone, 1-(3,4-DIMETHOXYBENZOYL)-N-[(4-FLUOROPHENYL)METHYL]-3-(PYRIDIN-3-YL)-1H-1,2,4-TRIAZOL-5-AMINE
| Molecular Formula | C23H20FN5O3 |
|---|---|
| Molecular Weight | 433.16 g/mol |
| LogP | 3.797 |
| Topological Polar Surface Area | 91.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.15503 |
| Heavy Atoms | 32 |
| Complexity | 1226.3778 |
Chemical Identifiers
| CAS Number | 898912-95-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC=C(C=C4)F)OC |
Product Overview
(3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone (CAS 898912-95-3), with molecular formula C23H20FN5O3 and molecular weight 433.16 g/mol. IUPAC: (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone.
Chemical Property Profile of (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
Property Insights of (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone
The XLogP value of 3.797 indicates that (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone. Following Lipinski's Rule of Five, (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone has 1 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 (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
The CAS number of (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone is 898912-95-3.
What is the molecular formula of (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
The molecular formula of (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone is C23H20FN5O3.
What is the molecular weight of (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
The molecular weight of (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone is 433.16 g/mol.
Where can I buy (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
You can request a quote for (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for (3,4-dimethoxyphenyl)-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.