Austinol
TL;DR: Austinol (CAS 72040-27-8) is a chemical compound with molecular formula C25H30O8 and molecular weight 458.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,5R,8S,9S,12R,13R)-8,12-dihydroxy-2,6,6',6',9,13-hexamethyl-16-methylidenespiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,5'-pyran]-2',11,15-trione
Also Known As: Austinol, Dehydroaustinol, DESACETYLAUSTIN, AUSTIN, O17-DEACETYL-, (1R,2S,5R,8S,9S,12R,13R)-8,12-dihydroxy-2,6,6',6',9,13-hexamethyl-16-methylidenespiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,5'-pyran]-2',11,15-trione
| Molecular Formula | C25H30O8 |
|---|---|
| Molecular Weight | 458.19 g/mol |
| LogP | 1.89 |
| Topological Polar Surface Area | 119.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 458.19406 |
| Heavy Atoms | 33 |
| Complexity | 1115.4408 |
Chemical Identifiers
| CAS Number | 72040-27-8 |
|---|---|
| SMILES | C[C@@H]1[C@]2(C(=O)O[C@@]3([C@H](C4=C([C@@]5(CC[C@@]4([C@]2(C3=C)C(=O)O1)C)C=CC(=O)OC5(C)C)C)O)C)O |
Product Overview
Austinol (CAS 72040-27-8), with molecular formula C25H30O8 and molecular weight 458.19 g/mol. IUPAC: (1R,2S,5R,8S,9S,12R,13R)-8,12-dihydroxy-2,6,6',6',9,13-hexamethyl-16-methylidenespiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,5'-pyran]-2',11,15-trione.
Chemical Property Profile of Austinol
Property Insights of Austinol
The XLogP value of 1.89 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Austinol. The TPSA of 119.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Austinol. Following Lipinski's Rule of Five, Austinol has 2 hydrogen bond donor(s) and 8 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 Austinol?
The CAS number of Austinol is 72040-27-8.
What is the molecular formula of Austinol?
The molecular formula of Austinol is C25H30O8.
What is the molecular weight of Austinol?
The molecular weight of Austinol is 458.19 g/mol.
Where can I buy Austinol?
You can request a quote for Austinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Austinol?
Yes, KEHONG BIO provides custom synthesis services for Austinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.