Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate
TL;DR: Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate (CAS 152567-95-8) is a chemical compound with molecular formula C17H14N2O3 and molecular weight 294.10043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(4-oxo-3H-phthalazin-1-yl)benzoate
Also Known As: ethyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate, ethyl 4-(4-oxo-3H-phthalazin-1-yl)benzoate, Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate
Technical Specifications
| Molecular Formula | C17H14N2O3 |
| Molecular Weight | 294.10043 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.10043 Da |
| Heavy Atoms | 22 |
| Complexity | 467.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32 |
| InChIKey | RJOUBGFUZVHYNA-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate
Property Insights of Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate 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
What is the CAS number of Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate?
The CAS number of Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate is 152567-95-8.
What is the molecular formula of Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate?
The molecular formula of Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate is C17H14N2O3.
What is the molecular weight of Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate?
The molecular weight of Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate is 294.10043 g/mol.
Where can I buy Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate?
You can request a quote for Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(3,4-dihydro-4-oxo-1-phthalazinyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.