![2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one structure](/static/products/7089/708995-40-8.webp)
2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one
TL;DR: 2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one (CAS 708995-40-8) is a chemical compound with molecular formula C28H27N5O5 and molecular weight 513.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[4-(3-ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one
Also Known As: 2-[5-[4-(3-ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one, 2-(5-{4-[(3-ethoxyphenyl)carbonyl]piperazin-1-yl}-2-nitrophenyl)-4-methylphthalazin-1(2H)-one, 2-[5-[4-(3-ethoxybenzoyl)piperazin-1-yl]-2-nitro-phenyl]-4-methyl-phthalazin-1-one
| Molecular Formula | C28H27N5O5 |
|---|---|
| Molecular Weight | 513.20 g/mol |
| LogP | 3.96342 |
| Topological Polar Surface Area | 110.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 513.20123 |
| Heavy Atoms | 38 |
| Complexity | 1590.6173 |
Chemical Identifiers
| CAS Number | 708995-40-8 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C |
Product Overview
2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one (CAS 708995-40-8), with molecular formula C28H27N5O5 and molecular weight 513.20 g/mol. IUPAC: 2-[5-[4-(3-ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one.
Chemical Property Profile of 2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one
Property Insights of 2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one
The XLogP value of 3.96342 indicates that 2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one. Following Lipinski's Rule of Five, 2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one?
The CAS number of 2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one is 708995-40-8.
What is the molecular formula of 2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one?
The molecular formula of 2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one is C28H27N5O5.
What is the molecular weight of 2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one?
The molecular weight of 2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one is 513.20 g/mol.
Where can I buy 2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one?
You can request a quote for 2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-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-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-[4-(3-Ethoxybenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-methylphthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.