![[(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate structure](/static/products/526/52691-49-3.png)
[(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate
TL;DR: [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate (CAS 52691-49-3) is a chemical compound with molecular formula C20H28O4 and molecular weight 332.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate
Also Known As: Polyyne deriv., [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate, (11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl acetate, (9Z,11S,16S)-11,16-Dihydroxy-9,17-octadecadiene-12,14-diyn-1-yl acetate, (9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diyn-1-yl acetate
| Molecular Formula | C20H28O4 |
|---|---|
| Molecular Weight | 332.20 g/mol |
| LogP | 2.751 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 332.19876 |
| Heavy Atoms | 24 |
| Complexity | 499.20258 |
Chemical Identifiers
| CAS Number | 52691-49-3 |
|---|---|
| SMILES | CC(=O)OCCCCCCCC/C=C\[C@@H](C#CC#C[C@H](C=C)O)O |
Product Overview
[(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate (CAS 52691-49-3), with molecular formula C20H28O4 and molecular weight 332.20 g/mol. IUPAC: [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate.
Chemical Property Profile of [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate
Property Insights of [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate
The XLogP value of 2.751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate. Following Lipinski's Rule of Five, [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate 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 [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate?
The CAS number of [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate is 52691-49-3.
What is the molecular formula of [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate?
The molecular formula of [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate is C20H28O4.
What is the molecular weight of [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate?
The molecular weight of [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate is 332.20 g/mol.
Where can I buy [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate?
You can request a quote for [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [(9Z,11S,16S)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.