![2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one structure](/static/products/713/713091-72-6.png)
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one
TL;DR: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one (CAS 713091-72-6) 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-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1-one
Also Known As: AB01291514-01, 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one, 2-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)-4-(3-nitrophenyl)phthalazin-1(2H)-one, 2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-4-(3-nitrophenyl)phthalazin-1-one, 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1-one
| Molecular Formula | C21H21N5O4 |
|---|---|
| Molecular Weight | 407.16 g/mol |
| LogP | 1.7457 |
| 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 | 1181.4755 |
Chemical Identifiers
| CAS Number | 713091-72-6 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one (CAS 713091-72-6), with molecular formula C21H21N5O4 and molecular weight 407.16 g/mol. IUPAC: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1-one.
Chemical Property Profile of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one
Property Insights of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one
The XLogP value of 1.7457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one. The TPSA of 101.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one. Following Lipinski's Rule of Five, 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-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-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one?
The CAS number of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one is 713091-72-6.
What is the molecular formula of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one?
The molecular formula of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one is C21H21N5O4.
What is the molecular weight of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one?
The molecular weight of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one is 407.16 g/mol.
Where can I buy 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one?
You can request a quote for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)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 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(3-nitrophenyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.