Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate
TL;DR: Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate (CAS 332390-51-9) is a chemical compound with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-(4-oxo-3H-phthalazin-1-yl)benzoate
Also Known As: ChemDiv1_004767, propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate, propyl 4-(4-oxo-3H-phthalazin-1-yl)benzoate
| Molecular Formula | C18H16N2O3 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 3.1569 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.1161 |
| Heavy Atoms | 23 |
| Complexity | 898.0338 |
Chemical Identifiers
| CAS Number | 332390-51-9 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32 |
Product Overview
Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate (CAS 332390-51-9), with molecular formula C18H16N2O3 and molecular weight 308.12 g/mol. IUPAC: propyl 4-(4-oxo-3H-phthalazin-1-yl)benzoate.
Chemical Property Profile of Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate
Property Insights of Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate
The XLogP value of 3.1569 indicates that Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate. Following Lipinski's Rule of Five, Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)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
Frequently Asked Questions
What is the CAS number of Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate?
The CAS number of Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate is 332390-51-9.
What is the molecular formula of Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate?
The molecular formula of Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate is C18H16N2O3.
What is the molecular weight of Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate?
The molecular weight of Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate is 308.12 g/mol.
Where can I buy Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate?
You can request a quote for Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.