4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one
TL;DR: 4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one (CAS 674330-83-7) is a chemical compound with molecular formula C26H30N6O4 and molecular weight 490.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-2-(2-oxo-2-piperidin-1-ylethyl)phthalazin-1-one
Also Known As: 4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one, 4-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-2-(2-oxo-2-piperidin-1-ylethyl)phthalazin-1-one, 4-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-2-[2-oxo-2-(piperidin-1-yl)ethyl]phthalazin-1(2H)-one, 4-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-2-[2-oxo-2-(1-piperidyl)ethyl]phthalazin-1-one, 4-[4-(4-METHYLPIPERAZIN-1-YL)-3-NITROPHENYL]-2-[2-OXO-2-(PIPERIDIN-1-YL)ETHYL]-1,2-DIHYDROPHTHALAZIN-1-ONE
| Molecular Formula | C26H30N6O4 |
|---|---|
| Molecular Weight | 490.23 g/mol |
| LogP | 2.736 |
| Topological Polar Surface Area | 104.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.23285 |
| Heavy Atoms | 36 |
| Complexity | 1356.2869 |
Chemical Identifiers
| CAS Number | 674330-83-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C(C=C2)C3=NN(C(=O)C4=CC=CC=C43)CC(=O)N5CCCCC5)[N+](=O)[O-] |
Product Overview
4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one (CAS 674330-83-7), with molecular formula C26H30N6O4 and molecular weight 490.23 g/mol. IUPAC: 4-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-2-(2-oxo-2-piperidin-1-ylethyl)phthalazin-1-one.
Chemical Property Profile of 4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one
Property Insights of 4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one
The XLogP value of 2.736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one. The TPSA of 104.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one. Following Lipinski's Rule of Five, 4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one has 0 hydrogen bond donor(s) and 7 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-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one?
The CAS number of 4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one is 674330-83-7.
What is the molecular formula of 4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one?
The molecular formula of 4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one is C26H30N6O4.
What is the molecular weight of 4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one?
The molecular weight of 4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one is 490.23 g/mol.
Where can I buy 4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one?
You can request a quote for 4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)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-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(4-methylpiperazin-1-yl)-3-nitrophenyl)-2-(2-oxo-2-(piperidin-1-yl)ethyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.