Isomagnolol
TL;DR: Isomagnolol (CAS 87688-90-2) is a chemical compound with molecular formula C18H18O2 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-prop-2-enyl-2-(4-prop-2-enylphenoxy)phenol
Also Known As: Isomagnolol, 4-prop-2-enyl-2-(4-prop-2-enylphenoxy)phenol, Phenol, 4-(2-propenyl)-2-(4-(2-propenyl)phenoxy)-, 4-allyl-2-(4-allylphenoxy)phenol, Isomagnolol (Standard Reference Material)
| Molecular Formula | C18H18O2 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.13068 |
| Heavy Atoms | 20 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 87688-90-2 |
|---|---|
| SMILES | C=CCC1=CC=C(C=C1)OC2=C(C=CC(=C2)CC=C)O |
| InChIKey | ROPDWYIWHWKVLI-UHFFFAOYSA-N |
Product Overview
Isomagnolol (CAS 87688-90-2), with molecular formula C18H18O2 and molecular weight 266.13 g/mol. IUPAC: 4-prop-2-enyl-2-(4-prop-2-enylphenoxy)phenol.
Chemical Property Profile of Isomagnolol
Property Insights of Isomagnolol
The XLogP value of 5.2 indicates that Isomagnolol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Isomagnolol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isomagnolol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isomagnolol?
The CAS number of Isomagnolol is 87688-90-2.
What is the molecular formula of Isomagnolol?
The molecular formula of Isomagnolol is C18H18O2.
What is the molecular weight of Isomagnolol?
The molecular weight of Isomagnolol is 266.13 g/mol.
Where can I buy Isomagnolol?
You can request a quote for Isomagnolol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isomagnolol?
Yes, KEHONG BIO provides custom synthesis services for Isomagnolol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.