4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one
TL;DR: 4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one (CAS 593237-84-4) is a chemical compound with molecular formula C29H28ClN5O4 and molecular weight 545.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one
Also Known As: 4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one, 4-(4-chlorophenyl)-2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one, 4-(4-chlorophenyl)-2-{5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one, 4-(4-chlorophenyl)-2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitro-phenyl]phthalazin-1-one
| Molecular Formula | C29H28ClN5O4 |
|---|---|
| Molecular Weight | 545.18 g/mol |
| LogP | 5.309 |
| Topological Polar Surface Area | 101.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 545.183 |
| Heavy Atoms | 39 |
| Complexity | 1634.8049 |
Chemical Identifiers
| CAS Number | 593237-84-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)N1CCN(CC1)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-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one (CAS 593237-84-4), with molecular formula C29H28ClN5O4 and molecular weight 545.18 g/mol. IUPAC: 4-(4-chlorophenyl)-2-[5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one.
Chemical Property Profile of 4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one
Property Insights of 4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one
The XLogP value of 5.309 indicates that 4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one?
The CAS number of 4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one is 593237-84-4.
What is the molecular formula of 4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one?
The molecular formula of 4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one is C29H28ClN5O4.
What is the molecular weight of 4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one?
The molecular weight of 4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one is 545.18 g/mol.
Where can I buy 4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one?
You can request a quote for 4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)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-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorophenyl)-2-(2-nitro-5-(4-pivaloylpiperazin-1-yl)phenyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.