6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate
TL;DR: 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate (CAS 313253-42-8) is a chemical compound with molecular formula C21H17N3O4 and molecular weight 375.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-ethyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl] acetate
Also Known As: AN-212/12565438, 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate, [6-ethyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl] acetate
| Molecular Formula | C21H17N3O4 |
|---|---|
| Molecular Weight | 375.12 g/mol |
| LogP | 3.5284 |
| Topological Polar Surface Area | 87.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.12192 |
| Heavy Atoms | 28 |
| Complexity | 1225.6185 |
Chemical Identifiers
| CAS Number | 313253-42-8 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OC(=O)C)OC=C(C2=O)C3=NN=CN3C4=CC=CC=C4 |
Product Overview
6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate (CAS 313253-42-8), with molecular formula C21H17N3O4 and molecular weight 375.12 g/mol. IUPAC: [6-ethyl-4-oxo-3-(4-phenyl-1,2,4-triazol-3-yl)chromen-7-yl] acetate.
Chemical Property Profile of 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate
Property Insights of 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate
The XLogP value of 3.5284 indicates that 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate has 0 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 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate?
The CAS number of 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate is 313253-42-8.
What is the molecular formula of 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate?
The molecular formula of 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate is C21H17N3O4.
What is the molecular weight of 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate?
The molecular weight of 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate is 375.12 g/mol.
Where can I buy 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate?
You can request a quote for 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 6-ethyl-4-oxo-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.