4-(4-Carboxyphenyl)phthalazin-1(2H)-one
TL;DR: 4-(4-Carboxyphenyl)phthalazin-1(2H)-one (CAS 152567-94-7) is a chemical compound with molecular formula C15H10N2O3 and molecular weight 266.06915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-oxo-3H-phthalazin-1-yl)benzoic acid
Also Known As: 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoic acid, 4-(4-CARBOXYPHENYL)PHTHALAZIN-1(2H)-ONE, 4-(4-oxo-3H-phthalazin-1-yl)benzoic acid, BIM-0049638.P001, 4-(4-oxo-3-hydrophthalazinyl)benzoic acid
Technical Specifications
| Molecular Formula | C15H10N2O3 |
| Molecular Weight | 266.06915 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 78.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.06915 Da |
| Heavy Atoms | 20 |
| Complexity | 438.0 |
| SMILES | C1=CC=C2C(=C1)C(=NNC2=O)C3=CC=C(C=C3)C(=O)O |
| InChIKey | GPMAGXCWKPUWCA-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Carboxyphenyl)phthalazin-1(2H)-one
Property Insights of 4-(4-Carboxyphenyl)phthalazin-1(2H)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Carboxyphenyl)phthalazin-1(2H)-one. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Carboxyphenyl)phthalazin-1(2H)-one. Following Lipinski's Rule of Five, 4-(4-Carboxyphenyl)phthalazin-1(2H)-one has 2 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 4-(4-Carboxyphenyl)phthalazin-1(2H)-one?
The CAS number of 4-(4-Carboxyphenyl)phthalazin-1(2H)-one is 152567-94-7.
What is the molecular formula of 4-(4-Carboxyphenyl)phthalazin-1(2H)-one?
The molecular formula of 4-(4-Carboxyphenyl)phthalazin-1(2H)-one is C15H10N2O3.
What is the molecular weight of 4-(4-Carboxyphenyl)phthalazin-1(2H)-one?
The molecular weight of 4-(4-Carboxyphenyl)phthalazin-1(2H)-one is 266.06915 g/mol.
Where can I buy 4-(4-Carboxyphenyl)phthalazin-1(2H)-one?
You can request a quote for 4-(4-Carboxyphenyl)phthalazin-1(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Carboxyphenyl)phthalazin-1(2H)-one?
Yes, CoreyChem provides custom synthesis services for 4-(4-Carboxyphenyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.