Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate
TL;DR: Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate (CAS 28081-49-4) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate
Also Known As: BAS 02824462, Ethyl 3-ethyl-3,4-dihydro-4-oxo-1-phthalazineacetate, BIM-0025523.P001, ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate, ethyl 2-(3-ethyl-4-oxo-3-hydrophthalazinyl)acetate
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 1.522 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 661.27893 |
Chemical Identifiers
| CAS Number | 28081-49-4 |
|---|---|
| SMILES | CCN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)OCC |
Product Overview
Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate (CAS 28081-49-4), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate.
Chemical Property Profile of Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate
Property Insights of Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate
The XLogP value of 1.522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate has 0 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 Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate?
The CAS number of Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate is 28081-49-4.
What is the molecular formula of Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate?
The molecular formula of Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate is C14H16N2O3.
What is the molecular weight of Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate?
The molecular weight of Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate is 260.12 g/mol.
Where can I buy Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate?
You can request a quote for Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.