2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one
TL;DR: 2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one (CAS 642429-76-3) is a chemical compound with molecular formula C21H14ClN3O3 and molecular weight 391.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one
Also Known As: 2-(5-chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one, 2-(5-chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1(2H)-one, 2-(5-chloro-2-nitrophenyl)-4-(4-methylphenyl)-1(2H)-phthalazinone, 4-(4-methylphenyl)-2-(2-nitro-5-chlorophenyl)phthalazin-1(2h)-one
| Molecular Formula | C21H14ClN3O3 |
|---|---|
| Molecular Weight | 391.07 g/mol |
| LogP | 4.92272 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 391.07236 |
| Heavy Atoms | 28 |
| Complexity | 1280.5618 |
Chemical Identifiers
| CAS Number | 642429-76-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)Cl)[N+](=O)[O-] |
Product Overview
2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one (CAS 642429-76-3), with molecular formula C21H14ClN3O3 and molecular weight 391.07 g/mol. IUPAC: 2-(5-chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one.
Chemical Property Profile of 2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one
Property Insights of 2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one
The XLogP value of 4.92272 indicates that 2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one. Following Lipinski's Rule of Five, 2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one has 0 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 2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one?
The CAS number of 2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one is 642429-76-3.
What is the molecular formula of 2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one?
The molecular formula of 2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one is C21H14ClN3O3.
What is the molecular weight of 2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one?
The molecular weight of 2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one is 391.07 g/mol.
Where can I buy 2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one?
You can request a quote for 2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)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 2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Chloro-2-nitrophenyl)-4-(4-methylphenyl)phthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.