3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone
TL;DR: 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone (CAS 42585-59-1) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone
Also Known As: 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone, 5-23-02-00114 (Beilstein Handbook Reference), ACETOPHENONE, 3'-((2-HYDROXY-3-(4-PHENYLPIPERAZINYL))PROPOXY)-, 1-{3-[2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl}ethan-1-one, 3 -[2-Hydroxy-3-(4-phenylpiperazino)propoxy]acetophenone
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 42585-59-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O |
| InChIKey | FDTSYVCHZCQUMG-UHFFFAOYSA-N |
Product Overview
3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone (CAS 42585-59-1), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: 1-[3-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone.
Chemical Property Profile of 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone
Property Insights of 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone. With a topological polar surface area (TPSA) of 53.0 Ų, 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone 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 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone?
The CAS number of 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone is 42585-59-1.
What is the molecular formula of 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone?
The molecular formula of 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone is C21H26N2O3.
What is the molecular weight of 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone?
The molecular weight of 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone is 354.19 g/mol.
Where can I buy 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone?
You can request a quote for 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.