4-(4-chlorobenzyl)phthalazin-1(2H)-one
TL;DR: 4-(4-chlorobenzyl)phthalazin-1(2H)-one (CAS 53242-88-9) is a chemical compound with molecular formula C15H11ClN2O and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methyl]-2H-phthalazin-1-one
Also Known As: 4-(4-chlorobenzyl)phthalazin-1(2H)-one, Azelastine EP Impurity D, 4-(4-Chloro-benzyl)-2H-phthalazin-1-one, Azelastine Impurity D, 4-(4-chlorobenzyl)phthalazin-1-ol
| Molecular Formula | C15H11ClN2O |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.056 |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 53242-88-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NNC2=O)CC3=CC=C(C=C3)Cl |
| InChIKey | NLXGCQIEVZYDRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-chlorobenzyl)phthalazin-1(2H)-one (CAS 53242-88-9), with molecular formula C15H11ClN2O and molecular weight 270.06 g/mol. IUPAC: 4-[(4-chlorophenyl)methyl]-2H-phthalazin-1-one.
Chemical Property Profile of 4-(4-chlorobenzyl)phthalazin-1(2H)-one
Property Insights of 4-(4-chlorobenzyl)phthalazin-1(2H)-one
The XLogP value of 3.2 indicates that 4-(4-chlorobenzyl)phthalazin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.5 Ų, 4-(4-chlorobenzyl)phthalazin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-chlorobenzyl)phthalazin-1(2H)-one has 1 hydrogen bond donor(s) and 2 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 4-(4-chlorobenzyl)phthalazin-1(2H)-one?
The CAS number of 4-(4-chlorobenzyl)phthalazin-1(2H)-one is 53242-88-9.
What is the molecular formula of 4-(4-chlorobenzyl)phthalazin-1(2H)-one?
The molecular formula of 4-(4-chlorobenzyl)phthalazin-1(2H)-one is C15H11ClN2O.
What is the molecular weight of 4-(4-chlorobenzyl)phthalazin-1(2H)-one?
The molecular weight of 4-(4-chlorobenzyl)phthalazin-1(2H)-one is 270.06 g/mol.
Where can I buy 4-(4-chlorobenzyl)phthalazin-1(2H)-one?
You can request a quote for 4-(4-chlorobenzyl)phthalazin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-chlorobenzyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorobenzyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.