2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one
TL;DR: 2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one (CAS 684235-07-2) is a chemical compound with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-one
Also Known As: 2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one, 2-methyl-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-phenyl]phthalazin-1-one, 2-methyl-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-one, 2-methyl-4-{4-methyl-3-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-1(2H)-phthalazinone, 2-methyl-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-one
| Molecular Formula | C21H24N4O3S |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 1.84502 |
| Topological Polar Surface Area | 75.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.15692 |
| Heavy Atoms | 29 |
| Complexity | 1242.5062 |
Chemical Identifiers
| CAS Number | 684235-07-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C)S(=O)(=O)N4CCN(CC4)C |
Product Overview
2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one (CAS 684235-07-2), with molecular formula C21H24N4O3S and molecular weight 412.16 g/mol. IUPAC: 2-methyl-4-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]phthalazin-1-one.
Chemical Property Profile of 2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one
Property Insights of 2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one
The XLogP value of 1.84502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one. The TPSA of 75.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one. Following Lipinski's Rule of Five, 2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one has 0 hydrogen bond donor(s) and 5 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-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one?
The CAS number of 2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one is 684235-07-2.
What is the molecular formula of 2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one?
The molecular formula of 2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one is C21H24N4O3S.
What is the molecular weight of 2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one?
The molecular weight of 2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one is 412.16 g/mol.
Where can I buy 2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one?
You can request a quote for 2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)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-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-4-(4-methyl-3-((4-methylpiperazin-1-yl)sulfonyl)phenyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.