5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one
TL;DR: 5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one (CAS 898457-29-9) is a chemical compound with molecular formula C20H17NO3 and molecular weight 319.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenacyloxy-2-prop-2-enylisoquinolin-1-one
Also Known As: 5-phenacyloxy-2-prop-2-enylisoquinolin-1-one, 2-allyl-5-(2-oxo-2-phenylethoxy)isoquinolin-1(2H)-one, F2621-0452, 5-(2-oxo-2-phenylethoxy)-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-1-one
| Molecular Formula | C20H17NO3 |
|---|---|
| Molecular Weight | 319.12 g/mol |
| LogP | 3.4492 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 319.12085 |
| Heavy Atoms | 24 |
| Complexity | 942.00525 |
Chemical Identifiers
| CAS Number | 898457-29-9 |
|---|---|
| SMILES | C=CCN1C=CC2=C(C1=O)C=CC=C2OCC(=O)C3=CC=CC=C3 |
Product Overview
5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one (CAS 898457-29-9), with molecular formula C20H17NO3 and molecular weight 319.12 g/mol. IUPAC: 5-phenacyloxy-2-prop-2-enylisoquinolin-1-one.
Chemical Property Profile of 5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one
Property Insights of 5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one
The XLogP value of 3.4492 indicates that 5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.3 Ų, 5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one has 0 hydrogen bond donor(s) and 3 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 5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one?
The CAS number of 5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one is 898457-29-9.
What is the molecular formula of 5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one?
The molecular formula of 5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one is C20H17NO3.
What is the molecular weight of 5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one?
The molecular weight of 5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one is 319.12 g/mol.
Where can I buy 5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one?
You can request a quote for 5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenacyloxy-2-prop-2-enylisoquinolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.