14-Dehydroagrostistachin
TL;DR: 14-Dehydroagrostistachin (CAS 114076-71-0) is a chemical compound with molecular formula C20H28O3 and molecular weight 316.20386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2Z,5R,6Z,10Z,14S)-5-hydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene-4,9-dione
Also Known As: 14-Dehydroagrostistachin, (1S,4Z,8Z,10R,12Z,14R)-10-hydroxy-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-triene-6,11-dione, Bicyclo(12.1.0)pentadeca-2,6,10-triene-4,9-dione, 5-hydroxy-3,7,11,15,15-pentamethyl-, (1R*,2E,5R*,6E,10Z,14S*)-(+)-
Technical Specifications
| Molecular Formula | C20H28O3 |
| Molecular Weight | 316.20386 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 316.20386 Da |
| Heavy Atoms | 23 |
| Complexity | 604.0 |
| SMILES | C/C/1=C/C(=O)C/C(=C\[C@H](C(=O)/C(=C\[C@@H]2[C@@H](C2(C)C)CC1)/C)O)/C |
| InChIKey | JIIKYOGYPVGXIF-RKVYJGGESA-N |
Chemical Property Profile of 14-Dehydroagrostistachin
Property Insights of 14-Dehydroagrostistachin
The XLogP value of 3.1 indicates that 14-Dehydroagrostistachin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 14-Dehydroagrostistachin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 14-Dehydroagrostistachin 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
What is the CAS number of 14-Dehydroagrostistachin?
The CAS number of 14-Dehydroagrostistachin is 114076-71-0.
What is the molecular formula of 14-Dehydroagrostistachin?
The molecular formula of 14-Dehydroagrostistachin is C20H28O3.
What is the molecular weight of 14-Dehydroagrostistachin?
The molecular weight of 14-Dehydroagrostistachin is 316.20386 g/mol.
Where can I buy 14-Dehydroagrostistachin?
You can request a quote for 14-Dehydroagrostistachin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 14-Dehydroagrostistachin?
Yes, CoreyChem provides custom synthesis services for 14-Dehydroagrostistachin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.