4-aminophthalazin-1(2H)-one
TL;DR: 4-aminophthalazin-1(2H)-one (CAS 13580-88-6) is a chemical compound with molecular formula C8H7N3O and molecular weight 161.05891 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-2H-phthalazin-1-one
Also Known As: 4-aminophthalazin-1(2H)-one, 4-Amino-phthalazone, 4-aminophthalazin-1-ol, 4-amino-2H-phthalazin-1-one, 4-Amino-1-phthalazinone
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7N3O |
| Molecular Weight | 161.05891 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.05891 Da |
| Heavy Atoms | 12 |
| Complexity | 236.0 |
| SMILES | C1=CC=C2C(=C1)C(=NNC2=O)N |
| InChIKey | IUBSMBJKUKVEMK-UHFFFAOYSA-N |
Chemical Property Profile of 4-aminophthalazin-1(2H)-one
Property Insights of 4-aminophthalazin-1(2H)-one
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-aminophthalazin-1(2H)-one. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-aminophthalazin-1(2H)-one. Following Lipinski's Rule of Five, 4-aminophthalazin-1(2H)-one has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-aminophthalazin-1(2H)-one?
The CAS number of 4-aminophthalazin-1(2H)-one is 13580-88-6.
What is the molecular formula of 4-aminophthalazin-1(2H)-one?
The molecular formula of 4-aminophthalazin-1(2H)-one is C8H7N3O.
What is the molecular weight of 4-aminophthalazin-1(2H)-one?
The molecular weight of 4-aminophthalazin-1(2H)-one is 161.05891 g/mol.
Where can I buy 4-aminophthalazin-1(2H)-one?
You can request a quote for 4-aminophthalazin-1(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-aminophthalazin-1(2H)-one?
Yes, CoreyChem provides custom synthesis services for 4-aminophthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.