Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate
TL;DR: Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate (CAS 122665-86-5) is a chemical compound with molecular formula C14H13N3O3 and molecular weight 271.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[3-(cyanomethyl)-4-oxophthalazin-1-yl]acetate
Also Known As: ETHYL 2-[3-(CYANOMETHYL)-4-OXO-3,4-DIHYDROPHTHALAZIN-1-YL]ACETATE, EC 429-680-0, Ethyl 2-(3-(cyanomethyl)-4-oxo-3,4-dihydrophthalazin-1-yl)acetate, ethyl 2-[3-(cyanomethyl)-4-oxophthalazin-1-yl]acetate, J1.640.289C
Technical Specifications
| Molecular Formula | C14H13N3O3 |
| Molecular Weight | 271.0957 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.0957 Da |
| Heavy Atoms | 20 |
| Complexity | 477.0 |
| SMILES | CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC#N |
| InChIKey | VSAMVTQRKTVMHH-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate
Property Insights of Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate. Following Lipinski's Rule of Five, Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate has 0 hydrogen bond donor(s) and 5 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 (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate?
The CAS number of Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate is 122665-86-5.
What is the molecular formula of Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate?
The molecular formula of Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate is C14H13N3O3.
What is the molecular weight of Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate?
The molecular weight of Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate is 271.0957 g/mol.
Where can I buy Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate?
You can request a quote for Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl (3-cyanomethyl-3,4-dihydro-4-oxophthalazin-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.