3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one
TL;DR: 3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one (CAS 180403-55-8) is a chemical compound with molecular formula C17H11N3O2 and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-phenyl-1H-1,2,4-triazol-5-yl)chromen-2-one
Also Known As: 3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one, BAS 01861199, 3-(3-phenyl-1H-1,2,4-triazol-5-yl)chromen-2-one, 3-(5-Phenyl-1H-1,2,4-triazol-3-yl)-2H-chromen-2-one, 3-(5-phenyl-4H-1,2,4-triazol-3-yl)chromen-2-one
| Molecular Formula | C17H11N3O2 |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 3.2451 |
| Topological Polar Surface Area | 71.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.0851 |
| Heavy Atoms | 22 |
| Complexity | 1003.0308 |
Chemical Identifiers
| CAS Number | 180403-55-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=N2)C3=CC4=CC=CC=C4OC3=O |
Product Overview
3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one (CAS 180403-55-8), with molecular formula C17H11N3O2 and molecular weight 289.09 g/mol. IUPAC: 3-(3-phenyl-1H-1,2,4-triazol-5-yl)chromen-2-one.
Chemical Property Profile of 3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one
Property Insights of 3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one
The XLogP value of 3.2451 indicates that 3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one has 1 hydrogen bond donor(s) and 4 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-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one?
The CAS number of 3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one is 180403-55-8.
What is the molecular formula of 3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one?
The molecular formula of 3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one is C17H11N3O2.
What is the molecular weight of 3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one?
The molecular weight of 3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one is 289.09 g/mol.
Where can I buy 3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one?
You can request a quote for 3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-phenyl-4H-1,2,4-triazol-3-yl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.