adenanthin
TL;DR: adenanthin (CAS 111917-59-0) is a chemical compound with molecular formula C26H34O9 and molecular weight 490.22028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate
Also Known As: adenanthin, B0005-160803, [(1R,2R,4R,6S,8S,9S,10S,11S,13S)-2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.0^{1,10.0^{4,9]hexadecanyl] acetate, [(1R,2R,4R,6S,8S,9S,10S,11S,13S)-2,8-diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Technical Specifications
| Molecular Formula | C26H34O9 |
| Molecular Weight | 490.22028 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.22028 Da |
| Heavy Atoms | 35 |
| Complexity | 1030.0 |
| SMILES | CC(=O)OC1CC2CC3(C1C4(C(CC(C(C4C(=O)C3OC(=O)C)(C)C)O)OC(=O)C)C)C(=O)C2=C |
| InChIKey | WQVYSFSBBFDGRG-UHFFFAOYSA-N |
Chemical Property Profile of adenanthin
Property Insights of adenanthin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for adenanthin. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for adenanthin. Following Lipinski's Rule of Five, adenanthin has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of adenanthin?
The CAS number of adenanthin is 111917-59-0.
What is the molecular formula of adenanthin?
The molecular formula of adenanthin is C26H34O9.
What is the molecular weight of adenanthin?
The molecular weight of adenanthin is 490.22028 g/mol.
Where can I buy adenanthin?
You can request a quote for adenanthin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for adenanthin?
Yes, CoreyChem provides custom synthesis services for adenanthin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.