![4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one structure](/static/products/5240/524034-49-9.webp)
4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one
TL;DR: 4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one (CAS 524034-49-9) is a chemical compound with molecular formula C20H21N5O5S and molecular weight 443.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one
Also Known As: 4-methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one, 4-methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]phthalazin-1-one, 4-methyl-2-{5-[4-(methylsulfonyl)piperazin-1-yl]-2-nitrophenyl}phthalazin-1(2H)-one, 2-[5-(4-METHANESULFONYLPIPERAZIN-1-YL)-2-NITROPHENYL]-4-METHYL-1,2-DIHYDROPHTHALAZIN-1-ONE
| Molecular Formula | C20H21N5O5S |
|---|---|
| Molecular Weight | 443.13 g/mol |
| LogP | 1.68392 |
| Topological Polar Surface Area | 118.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.12634 |
| Heavy Atoms | 31 |
| Complexity | 1343.813 |
Chemical Identifiers
| CAS Number | 524034-49-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one (CAS 524034-49-9), with molecular formula C20H21N5O5S and molecular weight 443.13 g/mol. IUPAC: 4-methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one.
Chemical Property Profile of 4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one
Property Insights of 4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one
The XLogP value of 1.68392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one. The TPSA of 118.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one. Following Lipinski's Rule of Five, 4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-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 4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one?
The CAS number of 4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one is 524034-49-9.
What is the molecular formula of 4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one?
The molecular formula of 4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one is C20H21N5O5S.
What is the molecular weight of 4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one?
The molecular weight of 4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one is 443.13 g/mol.
Where can I buy 4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one?
You can request a quote for 4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]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 4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.