Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate
TL;DR: Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate (CAS 25947-13-1) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
Also Known As: ethyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate, ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate, Maybridge1_004816, ethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate, 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, ethyl ester
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 25947-13-1 |
|---|---|
| SMILES | CCOC(=O)CC1=NNC(=O)C2=CC=CC=C21 |
| InChIKey | XBIOFKSFKYRIIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate (CAS 25947-13-1), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: ethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate.
Chemical Property Profile of Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate
Property Insights of Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate has 1 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-oxo-3,4-dihydrophthalazin-1-yl)acetate?
The CAS number of Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate is 25947-13-1.
What is the molecular formula of Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
The molecular formula of Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate is C12H12N2O3.
What is the molecular weight of Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
The molecular weight of Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate is 232.08 g/mol.
Where can I buy Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
You can request a quote for Ethyl 2-(4-oxo-3,4-dihydrophthalazin-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-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.