Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate
TL;DR: Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate (CAS 298682-25-4) 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-(4-ethyl-1-oxophthalazin-2-yl)acetate
Also Known As: Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate, BAS 00370444, ethyl 2-(4-ethyl-1-oxophthalazin-2-yl)acetate, ethyl (4-ethyl-1-oxophthalazin-2(1H)-yl)acetate, Ethyl2-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 298682-25-4 |
|---|---|
| SMILES | CCC1=NN(C(=O)C2=CC=CC=C21)CC(=O)OCC |
| InChIKey | VPPZXCXXJUPMQV-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate (CAS 298682-25-4), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: ethyl 2-(4-ethyl-1-oxophthalazin-2-yl)acetate.
Chemical Property Profile of Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate
Property Insights of Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate. With a topological polar surface area (TPSA) of 59.0 Ų, Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-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-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate?
The CAS number of Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate is 298682-25-4.
What is the molecular formula of Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate?
The molecular formula of Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate is C14H16N2O3.
What is the molecular weight of Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate?
The molecular weight of Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate is 260.12 g/mol.
Where can I buy Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate?
You can request a quote for Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-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-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-ethyl-1-oxophthalazin-2(1H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.