![2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one structure](/static/products/6424/642430-68-0.webp)
2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one
TL;DR: 2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one (CAS 642430-68-0) is a chemical compound with molecular formula C21H23N5O5S and molecular weight 457.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one
Also Known As: 2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one, 2-(5-(4-(ethylsulfonyl)piperazin-1-yl)-2-nitrophenyl)-4-methylphthalazin-1(2H)-one, 2-{5-[4-(ethylsulfonyl)piperazin-1-yl]-2-nitrophenyl}-4-methylphthalazin-1(2H)-one, 2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-4-methyl-phthalazin-1-one, 2-{5-[4-(ETHANESULFONYL)PIPERAZIN-1-YL]-2-NITROPHENYL}-4-METHYL-1,2-DIHYDROPHTHALAZIN-1-ONE
| Molecular Formula | C21H23N5O5S |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 2.07402 |
| Topological Polar Surface Area | 118.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.142 |
| Heavy Atoms | 32 |
| Complexity | 1360.7433 |
Chemical Identifiers
| CAS Number | 642430-68-0 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C |
Product Overview
2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one (CAS 642430-68-0), with molecular formula C21H23N5O5S and molecular weight 457.14 g/mol. IUPAC: 2-[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one.
Chemical Property Profile of 2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one
Property Insights of 2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one
The XLogP value of 2.07402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one. The TPSA of 118.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one. Following Lipinski's Rule of Five, 2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-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 2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one?
The CAS number of 2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one is 642430-68-0.
What is the molecular formula of 2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one?
The molecular formula of 2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one is C21H23N5O5S.
What is the molecular weight of 2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one?
The molecular weight of 2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one is 457.14 g/mol.
Where can I buy 2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one?
You can request a quote for 2-[5-(4-Ethylsulfonylpiperazin-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-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(4-Ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-4-methylphthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.