4-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one
TL;DR: 4-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one (CAS 296798-72-6) is a chemical compound with molecular formula C19H18N4O3 and molecular weight 350.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one
Also Known As: 4-methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one, 4-methyl-2-[2-nitro-5-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one, A0437/0020257, 2-[2-nitro-5-(1-pyrrolidinyl)phenyl]-4-methyl-1(2H)-phthalazinone, 4-Methyl-2-(2-nitro-5-pyrrolidin-1-yl-phenyl)-2H-phthalazin-1-one
| Molecular Formula | C19H18N4O3 |
|---|---|
| Molecular Weight | 350.14 g/mol |
| LogP | 3.20252 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.13788 |
| Heavy Atoms | 26 |
| Complexity | 1068.0576 |
Chemical Identifiers
| CAS Number | 296798-72-6 |
|---|---|
| SMILES | CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCCC4)[N+](=O)[O-] |
Product Overview
4-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one (CAS 296798-72-6), with molecular formula C19H18N4O3 and molecular weight 350.14 g/mol. IUPAC: 4-methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one.
Chemical Property Profile of 4-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one
Property Insights of 4-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one
The XLogP value of 3.20252 indicates that 4-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one. Following Lipinski's Rule of Five, 4-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one has 0 hydrogen bond donor(s) and 5 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-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one?
The CAS number of 4-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one is 296798-72-6.
What is the molecular formula of 4-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one?
The molecular formula of 4-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one is C19H18N4O3.
What is the molecular weight of 4-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one?
The molecular weight of 4-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one is 350.14 g/mol.
Where can I buy 4-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one?
You can request a quote for 4-Methyl-2-(2-nitro-5-pyrrolidin-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-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-(2-nitro-5-pyrrolidin-1-ylphenyl)phthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.