(5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone
TL;DR: (5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone (CAS 694462-57-2) is a chemical compound with molecular formula C16H13FN4O2 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone
Also Known As: VU0047839-1, (5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone, 1-(4-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine, [5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone, [5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl](4-fluorophenyl)methanone
| Molecular Formula | C16H13FN4O2 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.10226 |
| Heavy Atoms | 23 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 694462-57-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(=N2)N)C(=O)C3=CC=C(C=C3)F |
| InChIKey | AOTHDKBDVSAWMR-UHFFFAOYSA-N |
Product Overview
(5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone (CAS 694462-57-2), with molecular formula C16H13FN4O2 and molecular weight 312.10 g/mol. IUPAC: [5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone.
Chemical Property Profile of (5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone
Property Insights of (5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone
The XLogP value of 3.5 indicates that (5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone. Following Lipinski's Rule of Five, (5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)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-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone?
The CAS number of (5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone is 694462-57-2.
What is the molecular formula of (5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone?
The molecular formula of (5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone is C16H13FN4O2.
What is the molecular weight of (5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone?
The molecular weight of (5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone is 312.10 g/mol.
Where can I buy (5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone?
You can request a quote for (5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-amino-3-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl)(4-fluorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.