4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one
TL;DR: 4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one (CAS 591735-73-8) is a chemical compound with molecular formula C24H20ClN5O3 and molecular weight 461.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one
Also Known As: AB00321797-02, AB00321797-04, 4-(4-chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one, 4-(4-chlorophenyl)-2-(2-nitro-5-(piperazin-1-yl)phenyl)phthalazin-1(2H)-one, 4-(4-chlorophenyl)-2-[2-nitro-5-(piperazin-1-yl)phenyl]phthalazin-1(2H)-one
| Molecular Formula | C24H20ClN5O3 |
|---|---|
| Molecular Weight | 461.13 g/mol |
| LogP | 4.0239 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.12546 |
| Heavy Atoms | 33 |
| Complexity | 1412.2986 |
Chemical Identifiers
| CAS Number | 591735-73-8 |
|---|---|
| SMILES | C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl |
Product Overview
4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one (CAS 591735-73-8), with molecular formula C24H20ClN5O3 and molecular weight 461.13 g/mol. IUPAC: 4-(4-chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one.
Chemical Property Profile of 4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one
Property Insights of 4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one
The XLogP value of 4.0239 indicates that 4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one has 1 hydrogen bond donor(s) and 6 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-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one?
The CAS number of 4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one is 591735-73-8.
What is the molecular formula of 4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one?
The molecular formula of 4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one is C24H20ClN5O3.
What is the molecular weight of 4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one?
The molecular weight of 4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one is 461.13 g/mol.
Where can I buy 4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one?
You can request a quote for 4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-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-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-2-(2-nitro-5-piperazin-1-ylphenyl)phthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.