1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid
TL;DR: 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid (CAS 76972-40-2) is a chemical compound with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-oxo-4-phenylphthalazin-2-yl)propanoic acid
Also Known As: 3-(1-OXO-4-PHENYLPHTHALAZIN-2(1H)-YL)PROPANOIC ACID, AKOS BC-1639, 3-(1-oxo-4-phenylphthalazin-2-yl)propanoic acid, 9492AE, 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid
| Molecular Formula | C17H14N2O3 |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.5382 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.10043 |
| Heavy Atoms | 22 |
| Complexity | 885.2947 |
Chemical Identifiers
| CAS Number | 76972-40-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CCC(=O)O |
Product Overview
1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid (CAS 76972-40-2), with molecular formula C17H14N2O3 and molecular weight 294.10 g/mol. IUPAC: 3-(1-oxo-4-phenylphthalazin-2-yl)propanoic acid.
Chemical Property Profile of 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid
Property Insights of 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid
The XLogP value of 2.5382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid. Following Lipinski's Rule of Five, 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid has 1 hydrogen bond donor(s) and 3 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 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid?
The CAS number of 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid is 76972-40-2.
What is the molecular formula of 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid?
The molecular formula of 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid is C17H14N2O3.
What is the molecular weight of 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid?
The molecular weight of 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid is 294.10 g/mol.
Where can I buy 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid?
You can request a quote for 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxo-4-phenyl-2(1H)-phthalazinepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.