Stagninol
TL;DR: Stagninol (CAS 138580-66-2) is a chemical compound with molecular formula C25H36O6 and molecular weight 432.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,5aR,7R,8R,9aS,9bR)-1-hydroxy-6,6,9a-trimethyl-7-[(E)-2-methylbut-2-enoyl]oxy-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-8-yl] (E)-2-methylbut-2-enoate
Also Known As: Stagninol, [(1R,5aR,7R,8R,9aS,9bR)-1-hydroxy-6,6,9a-trimethyl-7-[(E)-2-methylbut-2-enoyl]oxy-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-8-yl] (E)-2-methylbut-2-enoate, ((1R,5aR,7R,8R,9aS,9bR)-1-hydroxy-6,6,9a-trimethyl-7-((E)-2-methylbut-2-enoyl)oxy-1,3,5,5a,7,8,9,9b-octahydrobenzo(e)(2)benzofuran-8-yl) (E)-2-methylbut-2-enoate, (1R)-7beta,8alpha-Bis[(E)-2-methyl-2-butenoyloxy]-1,3,5,5aalpha,6,7,8,9,9a,9balpha-decahydro-6,6,9abeta-trimethylnaphtho[1,2-c]furan-1alpha-ol, (1R,5AR,7R,8R,9AS,9BR)-1-HYDROXY-6,6,9A-TRIMETHYL-8-{[(2E)-2-METHYLBUT-2-ENOYL]OXY}-1H,3H,5H,5AH,6H,7H,8H,9H,9AH,9BH-NAPHTHO[1,2-C]FURAN-7-YL (2E)-2-METHYLBUT-2-ENOATE
| Molecular Formula | C25H36O6 |
|---|---|
| Molecular Weight | 432.25 g/mol |
| LogP | 4.0897 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.2512 |
| Heavy Atoms | 31 |
| Complexity | 834.95026 |
Chemical Identifiers
| CAS Number | 138580-66-2 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@@H]1C[C@]2([C@@H](CC=C3[C@@H]2[C@@H](OC3)O)C([C@H]1OC(=O)/C(=C/C)/C)(C)C)C |
Product Overview
Stagninol (CAS 138580-66-2), with molecular formula C25H36O6 and molecular weight 432.25 g/mol. IUPAC: [(1R,5aR,7R,8R,9aS,9bR)-1-hydroxy-6,6,9a-trimethyl-7-[(E)-2-methylbut-2-enoyl]oxy-1,3,5,5a,7,8,9,9b-octahydrobenzo[e][2]benzofuran-8-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of Stagninol
Property Insights of Stagninol
The XLogP value of 4.0897 indicates that Stagninol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Stagninol. Following Lipinski's Rule of Five, Stagninol has 1 hydrogen bond donor(s) and 6 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 Stagninol?
The CAS number of Stagninol is 138580-66-2.
What is the molecular formula of Stagninol?
The molecular formula of Stagninol is C25H36O6.
What is the molecular weight of Stagninol?
The molecular weight of Stagninol is 432.25 g/mol.
Where can I buy Stagninol?
You can request a quote for Stagninol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Stagninol?
Yes, KEHONG BIO provides custom synthesis services for Stagninol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.