Diacetylatractylodiol
TL;DR: Diacetylatractylodiol (CAS 55078-26-7) is a chemical compound with molecular formula C17H20O4 and molecular weight 288.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5E,11E)-3-acetyloxytrideca-5,11-dien-7,9-diynyl] acetate
Also Known As: Diacetylatractylodiol, Diacetyl-atractylodiol, [(5E,11E)-3-acetyloxytrideca-5,11-dien-7,9-diynyl] acetate, 5,11-Tridecadiene-7,9-diyne-1,3-diol, diacetate, (-)-11,13-diacetoxy-trideca-2,8-diene-4,6-diyne
| Molecular Formula | C17H20O4 |
|---|---|
| Molecular Weight | 288.14 g/mol |
| LogP | 2.4005 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.13617 |
| Heavy Atoms | 21 |
| Complexity | 506.37888 |
Chemical Identifiers
| CAS Number | 55078-26-7 |
|---|---|
| SMILES | C/C=C/C#CC#C/C=C/CC(CCOC(=O)C)OC(=O)C |
Product Overview
Diacetylatractylodiol (CAS 55078-26-7), with molecular formula C17H20O4 and molecular weight 288.14 g/mol. IUPAC: [(5E,11E)-3-acetyloxytrideca-5,11-dien-7,9-diynyl] acetate.
Chemical Property Profile of Diacetylatractylodiol
Property Insights of Diacetylatractylodiol
The XLogP value of 2.4005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diacetylatractylodiol. With a topological polar surface area (TPSA) of 52.6 Ų, Diacetylatractylodiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diacetylatractylodiol has 0 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 Diacetylatractylodiol?
The CAS number of Diacetylatractylodiol is 55078-26-7.
What is the molecular formula of Diacetylatractylodiol?
The molecular formula of Diacetylatractylodiol is C17H20O4.
What is the molecular weight of Diacetylatractylodiol?
The molecular weight of Diacetylatractylodiol is 288.14 g/mol.
Where can I buy Diacetylatractylodiol?
You can request a quote for Diacetylatractylodiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacetylatractylodiol?
Yes, KEHONG BIO provides custom synthesis services for Diacetylatractylodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.