Methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate
TL;DR: Methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate (CAS 25947-14-2) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
Also Known As: methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate, Venadaparib Impurity 32, methyl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate, methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate, 1-Phthalazineacetic acid, 3,4-dihydro-4-oxo-, methyl ester
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 25947-14-2 |
|---|---|
| SMILES | COC(=O)CC1=NNC(=O)C2=CC=CC=C21 |
| InChIKey | IXLXNBZGLAHSDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate (CAS 25947-14-2), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate.
Chemical Property Profile of Methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate
Property Insights of Methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 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 Methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate. Following Lipinski's Rule of Five, Methyl 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 Methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
The CAS number of Methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate is 25947-14-2.
What is the molecular formula of Methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
The molecular formula of Methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate is C11H10N2O3.
What is the molecular weight of Methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
The molecular weight of Methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate is 218.07 g/mol.
Where can I buy Methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
You can request a quote for Methyl 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 Methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.