2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one
TL;DR: 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one (CAS 840471-86-5) is a chemical compound with molecular formula C28H28N4O2 and molecular weight 452.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-phenylphthalazin-1-one
Also Known As: 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one, 2-[3-(4-benzylpiperazin-1-yl)-3-oxo-propyl]-4-phenyl-phthalazin-1-one, 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-phenylphthalazin-1(2H)-one, 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-phenylphthalazin-1-one
| Molecular Formula | C28H28N4O2 |
|---|---|
| Molecular Weight | 452.22 g/mol |
| LogP | 3.798 |
| Topological Polar Surface Area | 58.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.22122 |
| Heavy Atoms | 34 |
| Complexity | 1327.1335 |
Chemical Identifiers
| CAS Number | 840471-86-5 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5 |
Product Overview
2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one (CAS 840471-86-5), with molecular formula C28H28N4O2 and molecular weight 452.22 g/mol. IUPAC: 2-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-4-phenylphthalazin-1-one.
Chemical Property Profile of 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one
Property Insights of 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one
The XLogP value of 3.798 indicates that 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.44 Ų, 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one has 0 hydrogen bond donor(s) and 4 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-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one?
The CAS number of 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one is 840471-86-5.
What is the molecular formula of 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one?
The molecular formula of 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one is C28H28N4O2.
What is the molecular weight of 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one?
The molecular weight of 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one is 452.22 g/mol.
Where can I buy 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one?
You can request a quote for 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-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-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(4-benzylpiperazin-1-yl)-3-oxopropyl)-4-phenylphthalazin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.