4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone
TL;DR: 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone (CAS 63867-31-2) is a chemical compound with molecular formula C23H30N2O3 and molecular weight 382.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]butan-1-one
Also Known As: 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone, 5-23-02-00114 (Beilstein Handbook Reference), 1-(4-Butyrylphenoxy)-3-(4-phenylpiperazinyl)propan-2-ol, 1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]butan-1-one, 1-{4-[2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl}butan-1-one
| Molecular Formula | C23H30N2O3 |
|---|---|
| Molecular Weight | 382.23 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 382.22565 |
| Heavy Atoms | 28 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 63867-31-2 |
|---|---|
| SMILES | CCCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O |
| InChIKey | IUNBSQBAZSNEOK-UHFFFAOYSA-N |
Product Overview
4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone (CAS 63867-31-2), with molecular formula C23H30N2O3 and molecular weight 382.23 g/mol. IUPAC: 1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]butan-1-one.
Chemical Property Profile of 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone
Property Insights of 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone
The XLogP value of 3.4 indicates that 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone has 1 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 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone?
The CAS number of 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone is 63867-31-2.
What is the molecular formula of 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone?
The molecular formula of 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone is C23H30N2O3.
What is the molecular weight of 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone?
The molecular weight of 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone is 382.23 g/mol.
Where can I buy 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone?
You can request a quote for 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-(2-Hydroxy-3-(4-phenylpiperazinyl)propoxy)butyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.