![2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one structure](/static/products/6944/694455-77-1.webp)
2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one
TL;DR: 2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one (CAS 694455-77-1) is a chemical compound with molecular formula C21H21N5O4 and molecular weight 407.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one
Also Known As: 2-methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one, 2-methyl-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}phthalazin-1(2H)-one
| Molecular Formula | C21H21N5O4 |
|---|---|
| Molecular Weight | 407.16 g/mol |
| LogP | 1.733 |
| Topological Polar Surface Area | 101.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.15936 |
| Heavy Atoms | 30 |
| Complexity | 1164.2255 |
Chemical Identifiers
| CAS Number | 694455-77-1 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one (CAS 694455-77-1), with molecular formula C21H21N5O4 and molecular weight 407.16 g/mol. IUPAC: 2-methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one.
Chemical Property Profile of 2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one
Property Insights of 2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one
The XLogP value of 1.733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one. The TPSA of 101.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one. Following Lipinski's Rule of Five, 2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one has 0 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 2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one?
The CAS number of 2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one is 694455-77-1.
What is the molecular formula of 2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one?
The molecular formula of 2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one is C21H21N5O4.
What is the molecular weight of 2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one?
The molecular weight of 2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one is 407.16 g/mol.
Where can I buy 2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one?
You can request a quote for 2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]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-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.