4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one
TL;DR: 4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one (CAS 579444-32-9) is a chemical compound with molecular formula C26H26N4O3S and molecular weight 474.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methylphenyl]-2H-phthalazin-1-one
Also Known As: ChemDiv2_004638, IDI1_003353, 4-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methylphenyl]-2H-phthalazin-1-one, 4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one, 4-{3-[(4-benzyl-1-piperazinyl)sulfonyl]-4-methylphenyl}-1(2H)-phthalazinone
| Molecular Formula | C26H26N4O3S |
|---|---|
| Molecular Weight | 474.17 g/mol |
| LogP | 3.40502 |
| Topological Polar Surface Area | 86.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.17258 |
| Heavy Atoms | 34 |
| Complexity | 1491.7722 |
Chemical Identifiers
| CAS Number | 579444-32-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5 |
Product Overview
4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one (CAS 579444-32-9), with molecular formula C26H26N4O3S and molecular weight 474.17 g/mol. IUPAC: 4-[3-(4-benzylpiperazin-1-yl)sulfonyl-4-methylphenyl]-2H-phthalazin-1-one.
Chemical Property Profile of 4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one
Property Insights of 4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one
The XLogP value of 3.40502 indicates that 4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one. Following Lipinski's Rule of Five, 4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one has 1 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 4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one?
The CAS number of 4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one is 579444-32-9.
What is the molecular formula of 4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one?
The molecular formula of 4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one is C26H26N4O3S.
What is the molecular weight of 4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one?
The molecular weight of 4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one is 474.17 g/mol.
Where can I buy 4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one?
You can request a quote for 4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)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-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-((4-benzylpiperazin-1-yl)sulfonyl)-4-methylphenyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.