2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one
TL;DR: 2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one (CAS 841206-16-4) is a chemical compound with molecular formula C29H28ClN3O2 and molecular weight 485.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-(4-chlorophenyl)phthalazin-1-one
Also Known As: 2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one, 2-[3-(4-benzyl-1-piperidyl)-3-oxo-propyl]-4-(4-chlorophenyl)phthalazin-1-one, 2-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-(4-chlorophenyl)phthalazin-1(2H)-one, 2-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-(4-chlorophenyl)phthalazin-1-one, 2-[3-(4-BENZYLPIPERIDIN-1-YL)-3-OXOPROPYL]-4-(4-CHLOROPHENYL)-1,2-DIHYDROPHTHALAZIN-1-ONE
| Molecular Formula | C29H28ClN3O2 |
|---|---|
| Molecular Weight | 485.19 g/mol |
| LogP | 5.5883 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.187 |
| Heavy Atoms | 35 |
| Complexity | 1374.9738 |
Chemical Identifiers
| CAS Number | 841206-16-4 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl |
Product Overview
2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one (CAS 841206-16-4), with molecular formula C29H28ClN3O2 and molecular weight 485.19 g/mol. IUPAC: 2-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-(4-chlorophenyl)phthalazin-1-one.
Chemical Property Profile of 2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one
Property Insights of 2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one
The XLogP value of 5.5883 indicates that 2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)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-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one?
The CAS number of 2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one is 841206-16-4.
What is the molecular formula of 2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one?
The molecular formula of 2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one is C29H28ClN3O2.
What is the molecular weight of 2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one?
The molecular weight of 2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one is 485.19 g/mol.
Where can I buy 2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one?
You can request a quote for 2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)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-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(4-benzylpiperidin-1-yl)-3-oxopropyl)-4-(4-chlorophenyl)phthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.