PPPone
TL;DR: PPPone (CAS 89011-87-0) is a chemical compound with molecular formula C27H37FN4O and molecular weight 452.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
Also Known As: PPPone, AE-641/30108062, 3-[4-[2-(4-Fluorophenyl)-2-(4-methyl-1-piperazinyl)ethyl]-1-piperazinyl]-2-methyl-1-phenyl-1-propanone, 3-(4-(2-(4-Fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl)piperazin-1-yl)-2-methyl-1-phenylpropan-1-one, 3-{4-[2-(4-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-piperazin-1-yl}-2-methyl-1-phenyl-propan-1-one
| Molecular Formula | C27H37FN4O |
|---|---|
| Molecular Weight | 452.30 g/mol |
| LogP | 3.2508 |
| Topological Polar Surface Area | 30.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.29514 |
| Heavy Atoms | 33 |
| Complexity | 874.7542 |
Chemical Identifiers
| CAS Number | 89011-87-0 |
|---|---|
| SMILES | CC(CN1CCN(CC1)CC(C2=CC=C(C=C2)F)N3CCN(CC3)C)C(=O)C4=CC=CC=C4 |
Product Overview
PPPone (CAS 89011-87-0), with molecular formula C27H37FN4O and molecular weight 452.30 g/mol. IUPAC: 3-[4-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]-2-methyl-1-phenylpropan-1-one.
Chemical Property Profile of PPPone
Property Insights of PPPone
The XLogP value of 3.2508 indicates that PPPone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.03 Ų, PPPone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PPPone has 0 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 PPPone?
The CAS number of PPPone is 89011-87-0.
What is the molecular formula of PPPone?
The molecular formula of PPPone is C27H37FN4O.
What is the molecular weight of PPPone?
The molecular weight of PPPone is 452.30 g/mol.
Where can I buy PPPone?
You can request a quote for PPPone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PPPone?
Yes, KEHONG BIO provides custom synthesis services for PPPone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.