2,5-dimethyl-4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate
TL;DR: 2,5-dimethyl-4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate (CAS 51411-96-2) is a chemical compound with molecular formula C22H18N2O4 and molecular weight 374.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,5-dimethyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] acetate
Also Known As: 2,5-dimethyl-4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate, [2,5-dimethyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] acetate
| Molecular Formula | C22H18N2O4 |
|---|---|
| Molecular Weight | 374.13 g/mol |
| LogP | 4.18784 |
| Topological Polar Surface Area | 74.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.12665 |
| Heavy Atoms | 28 |
| Complexity | 1253.0085 |
Chemical Identifiers
| CAS Number | 51411-96-2 |
|---|---|
| SMILES | CC1=CC(=CC2=C1C(=O)C(=C(O2)C)C3=CN(N=C3)C4=CC=CC=C4)OC(=O)C |
Product Overview
2,5-dimethyl-4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate (CAS 51411-96-2), with molecular formula C22H18N2O4 and molecular weight 374.13 g/mol. IUPAC: [2,5-dimethyl-4-oxo-3-(1-phenylpyrazol-4-yl)chromen-7-yl] acetate.
Chemical Property Profile of 2,5-dimethyl-4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate
Property Insights of 2,5-dimethyl-4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate
The XLogP value of 4.18784 indicates that 2,5-dimethyl-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 2,5-dimethyl-4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 2,5-dimethyl-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 2,5-dimethyl-4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate?
The CAS number of 2,5-dimethyl-4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate is 51411-96-2.
What is the molecular formula of 2,5-dimethyl-4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate?
The molecular formula of 2,5-dimethyl-4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate is C22H18N2O4.
What is the molecular weight of 2,5-dimethyl-4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate?
The molecular weight of 2,5-dimethyl-4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate is 374.13 g/mol.
Where can I buy 2,5-dimethyl-4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate?
You can request a quote for 2,5-dimethyl-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 2,5-dimethyl-4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-dimethyl-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.