![Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate structure](/static/products/850/850901-68-7.png)
Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate
TL;DR: Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate (CAS 850901-68-7) is a chemical compound with molecular formula C22H20N4O4 and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate
Also Known As: benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate, AT-057/43485279, benzyl [(2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxo-3(4H)-quinazolinyl)oxy]acetate, benzyl {[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxoquinazolin-3(4H)-yl]oxy}acetate, benzyl 2-((2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxoquinazolin-3(4H)-yl)oxy)acetate
| Molecular Formula | C22H20N4O4 |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 86.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 404.14847 |
| Heavy Atoms | 30 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 850901-68-7 |
|---|---|
| SMILES | CC1=CC(=NN1C2=NC3=CC=CC=C3C(=O)N2OCC(=O)OCC4=CC=CC=C4)C |
| InChIKey | GPHSAVQCGKGBFZ-UHFFFAOYSA-N |
Product Overview
Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate (CAS 850901-68-7), with molecular formula C22H20N4O4 and molecular weight 404.15 g/mol. IUPAC: benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate.
Chemical Property Profile of Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate
Property Insights of Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate
The XLogP value of 3.5 indicates that Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate. Following Lipinski's Rule of Five, Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate 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 Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate?
The CAS number of Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate is 850901-68-7.
What is the molecular formula of Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate?
The molecular formula of Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate is C22H20N4O4.
What is the molecular weight of Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate?
The molecular weight of Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate is 404.15 g/mol.
Where can I buy Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate?
You can request a quote for Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxoquinazolin-3-yl]oxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.