Isomagnolone
TL;DR: Isomagnolone (CAS 155709-41-4) is a chemical compound with molecular formula C18H18O3 and molecular weight 282.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-hydroxy-5-prop-2-enylphenoxy)phenyl]propan-1-one
Also Known As: Isomagnolone, Isomaglone, HY-N3472, 1-(4-(5-Allyl-2-hydroxyphenoxy)phenyl)propan-1-one, 1-[4-(2-hydroxy-5-prop-2-enylphenoxy)phenyl]propan-1-one
| Molecular Formula | C18H18O3 |
|---|---|
| Molecular Weight | 282.13 g/mol |
| LogP | 4.5057 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.12558 |
| Heavy Atoms | 21 |
| Complexity | 642.01306 |
Chemical Identifiers
| CAS Number | 155709-41-4 |
|---|---|
| SMILES | CCC(=O)C1=CC=C(C=C1)OC2=C(C=CC(=C2)CC=C)O |
Product Overview
Isomagnolone (CAS 155709-41-4), with molecular formula C18H18O3 and molecular weight 282.13 g/mol. IUPAC: 1-[4-(2-hydroxy-5-prop-2-enylphenoxy)phenyl]propan-1-one.
Chemical Property Profile of Isomagnolone
Property Insights of Isomagnolone
The XLogP value of 4.5057 indicates that Isomagnolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Isomagnolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isomagnolone has 1 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 Isomagnolone?
The CAS number of Isomagnolone is 155709-41-4.
What is the molecular formula of Isomagnolone?
The molecular formula of Isomagnolone is C18H18O3.
What is the molecular weight of Isomagnolone?
The molecular weight of Isomagnolone is 282.13 g/mol.
Where can I buy Isomagnolone?
You can request a quote for Isomagnolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomagnolone?
Yes, KEHONG BIO provides custom synthesis services for Isomagnolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.