Zinniol
TL;DR: Zinniol (CAS 17811-28-8) is a chemical compound with molecular formula C15H22O4 and molecular weight 266.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Zinniol
[2-(hydroxymethyl)-3-methoxy-4-methyl-5-(3-methylbut-2-enoxy)phenyl]methanol
Also Known As: Zinniol, ACon1_002206, Zinniol, >=90% (LC/MS-UV), 3-Methoxy-4-methyl-5-(3-methyl-2-butenyloxy)-1,2-benzenedimethanol, [2-(hydroxymethyl)-3-methoxy-4-methyl-5-(3-methylbut-2-enoxy)phenyl]methanol
| Molecular Formula | C15H22O4 |
|---|---|
| Molecular Weight | 266.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.1518 |
| Heavy Atoms | 19 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 17811-28-8 |
|---|---|
| SMILES | CC1=C(C=C(C(=C1OC)CO)CO)OCC=C(C)C |
| InChIKey | DUMQPTRUYCCSEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Zinniol (CAS 17811-28-8), with molecular formula C15H22O4 and molecular weight 266.15 g/mol. IUPAC: [2-(hydroxymethyl)-3-methoxy-4-methyl-5-(3-methylbut-2-enoxy)phenyl]methanol.
Chemical Property Profile of Zinniol
Property Insights of Zinniol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Zinniol. With a topological polar surface area (TPSA) of 58.9 Ų, Zinniol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Zinniol has 2 hydrogen bond donor(s) and 4 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 Zinniol?
The CAS number of Zinniol is 17811-28-8.
What is the molecular formula of Zinniol?
The molecular formula of Zinniol is C15H22O4.
What is the molecular weight of Zinniol?
The molecular weight of Zinniol is 266.15 g/mol.
Where can I buy Zinniol?
You can request a quote for Zinniol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zinniol?
Yes, KEHONG BIO provides custom synthesis services for Zinniol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.