4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate
TL;DR: 4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate (CAS 61064-46-8) is a chemical compound with molecular formula C20H14N2O4 and molecular weight 346.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] acetate
Also Known As: 4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate, 3-(1-phenyl-4-pyrazolyl)-7-acetoxychromone, [4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] acetate, 4-Oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-1-benzopyran-7-yl acetate, 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(1-phenyl-1H-pyrazol-4-yl)-
| Molecular Formula | C20H14N2O4 |
|---|---|
| Molecular Weight | 346.10 g/mol |
| LogP | 3.571 |
| Topological Polar Surface Area | 74.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.09537 |
| Heavy Atoms | 26 |
| Complexity | 1159.3737 |
Chemical Identifiers
| CAS Number | 61064-46-8 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CN(N=C3)C4=CC=CC=C4 |
Product Overview
4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate (CAS 61064-46-8), with molecular formula C20H14N2O4 and molecular weight 346.10 g/mol. IUPAC: [4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] acetate.
Chemical Property Profile of 4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate
Property Insights of 4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate
The XLogP value of 3.571 indicates that 4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate has 0 hydrogen bond donor(s) and 5 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 4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate?
The CAS number of 4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate is 61064-46-8.
What is the molecular formula of 4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate?
The molecular formula of 4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate is C20H14N2O4.
What is the molecular weight of 4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate?
The molecular weight of 4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate is 346.10 g/mol.
Where can I buy 4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate?
You can request a quote for 4-oxo-3-(1-phenyl-1H-pyrazol-4-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 4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.