![2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one structure](/static/products/797/797796-63-5.png)
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one
TL;DR: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one (CAS 797796-63-5) is a chemical compound with molecular formula C27H33N5O4S and molecular weight 523.23 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-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one
Also Known As: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one, 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-[4-methyl-3-(piperidin-1-ylsulfonyl)phenyl]phthalazin-1(2H)-one, 4-(4-methyl-3-(piperidin-1-ylsulfonyl)phenyl)-2-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)phthalazin-1(2H)-one
| Molecular Formula | C27H33N5O4S |
|---|---|
| Molecular Weight | 523.23 g/mol |
| LogP | 2.32052 |
| Topological Polar Surface Area | 95.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 523.22534 |
| Heavy Atoms | 37 |
| Complexity | 1486.4076 |
Chemical Identifiers
| CAS Number | 797796-63-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCN(CC4)C)S(=O)(=O)N5CCCCC5 |
Product Overview
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one (CAS 797796-63-5), with molecular formula C27H33N5O4S and molecular weight 523.23 g/mol. IUPAC: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one.
Chemical Property Profile of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one
Property Insights of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one
The XLogP value of 2.32052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one. The TPSA of 95.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one. Following Lipinski's Rule of Five, 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one?
The CAS number of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one is 797796-63-5.
What is the molecular formula of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one?
The molecular formula of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one is C27H33N5O4S.
What is the molecular weight of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one?
The molecular weight of 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one is 523.23 g/mol.
Where can I buy 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one?
You can request a quote for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)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 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.