2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one
TL;DR: 2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one (CAS 840476-88-2) is a chemical compound with molecular formula C29H29N3O2 and molecular weight 451.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(4-methylphenyl)phthalazin-1-one
Also Known As: 2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one, 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-4-(4-methylphenyl)phthalazin-1-one, 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(4-methylphenyl)phthalazin-1(2H)-one, 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(4-methylphenyl)phthalazin-1-one, 2-[2-(4-BENZYLPIPERIDIN-1-YL)-2-OXOETHYL]-4-(4-METHYLPHENYL)-1,2-DIHYDROPHTHALAZIN-1-ONE
| Molecular Formula | C29H29N3O2 |
|---|---|
| Molecular Weight | 451.23 g/mol |
| LogP | 4.85322 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.22598 |
| Heavy Atoms | 34 |
| Complexity | 1352.0375 |
Chemical Identifiers
| CAS Number | 840476-88-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(=O)N4CCC(CC4)CC5=CC=CC=C5 |
Product Overview
2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one (CAS 840476-88-2), with molecular formula C29H29N3O2 and molecular weight 451.23 g/mol. IUPAC: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-(4-methylphenyl)phthalazin-1-one.
Chemical Property Profile of 2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one
Property Insights of 2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one
The XLogP value of 4.85322 indicates that 2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one has 0 hydrogen bond donor(s) and 3 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-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one?
The CAS number of 2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one is 840476-88-2.
What is the molecular formula of 2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one?
The molecular formula of 2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one is C29H29N3O2.
What is the molecular weight of 2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one?
The molecular weight of 2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one is 451.23 g/mol.
Where can I buy 2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one?
You can request a quote for 2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)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-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-(4-benzylpiperidin-1-yl)-2-oxoethyl)-4-(p-tolyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.