Butyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate
TL;DR: Butyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate (CAS 364600-92-0) is a chemical compound with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-(4-oxo-3H-phthalazin-1-yl)benzoate
Also Known As: ChemDiv1_004811, BAS 01556766, butyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate, butyl 4-(4-oxo-3H-phthalazin-1-yl)benzoate, 4-(4-Oxo-3,4-dihydro-phthalazin-1-yl)-benzoic acid butyl ester
| Molecular Formula | C19H18N2O3 |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 3.547 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.13174 |
| Heavy Atoms | 24 |
| Complexity | 913.7933 |
Chemical Identifiers
| CAS Number | 364600-92-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32 |
Product Overview
Butyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate (CAS 364600-92-0), with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol. IUPAC: butyl 4-(4-oxo-3H-phthalazin-1-yl)benzoate.
Chemical Property Profile of Butyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate
Property Insights of Butyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate
The XLogP value of 3.547 indicates that Butyl 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 Butyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate. Following Lipinski's Rule of Five, Butyl 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 Butyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate?
The CAS number of Butyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate is 364600-92-0.
What is the molecular formula of Butyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate?
The molecular formula of Butyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate is C19H18N2O3.
What is the molecular weight of Butyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate?
The molecular weight of Butyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate is 322.13 g/mol.
Where can I buy Butyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate?
You can request a quote for Butyl 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 Butyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-(4-oxo-3,4-dihydrophthalazin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.