Ouabanginone
TL;DR: Ouabanginone (CAS 1152-54-1) is a chemical compound with molecular formula C26H34O5 and molecular weight 426.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-3-yl)-4-hydroxy-3b,6,6,10a,12a-pentamethyl-2,3a,4,5,5a,10b,11,12-octahydro-1H-indeno[6,7-g][2]benzoxepine-3,8-dione
Also Known As: Ouabanginone, 4-acetoxytricyclo<4.3.16,9.0>dec-2-ene, 8-(furan-3-yl)-11-hydroxy-1,1,5a,7a,10b-pentamethyl-5a,5b,6,7,7a,8,9,10a,10b,11,12,12a-dodecahydro-1h-cyclopenta[5,6]naphtho[2,1-c]oxepine-3,10-dione, 1-(furan-3-yl)-4-hydroxy-3b,6,6,10a,12a-pentamethyl-2,3a,4,5,5a,10b,11,12-octahydro-1H-indeno[6,7-g][2]benzoxepine-3,8-dione, 1H-Cyclopenta[5,6]naphth[2,1-c]oxepin-3,10-dione,8-(3-furanyl)-5a,5b,6,7,7a,8,9,10a,10b,11,12,12a-dodecahydro-11-hydroxy-1,1,5a,7a,10b-pentamethyl-,(5aR,5bR,7aS,8R,10aR,10bR,11R,12aR)-
| Molecular Formula | C26H34O5 |
|---|---|
| Molecular Weight | 426.24 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 426.24063 |
| Heavy Atoms | 31 |
| Complexity | 832.0 |
Chemical Identifiers
| CAS Number | 1152-54-1 |
|---|---|
| SMILES | CC1(C2CC(C3(C(C2(C=CC(=O)O1)C)CCC4(C3C(=O)CC4C5=COC=C5)C)C)O)C |
| InChIKey | IOUNSQHQRUORKP-UHFFFAOYSA-N |
Product Overview
Ouabanginone (CAS 1152-54-1), with molecular formula C26H34O5 and molecular weight 426.24 g/mol. IUPAC: 1-(furan-3-yl)-4-hydroxy-3b,6,6,10a,12a-pentamethyl-2,3a,4,5,5a,10b,11,12-octahydro-1H-indeno[6,7-g][2]benzoxepine-3,8-dione.
Chemical Property Profile of Ouabanginone
Property Insights of Ouabanginone
The XLogP value of 4.1 indicates that Ouabanginone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ouabanginone. Following Lipinski's Rule of Five, Ouabanginone has 1 hydrogen bond donor(s) and 5 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 Ouabanginone?
The CAS number of Ouabanginone is 1152-54-1.
What is the molecular formula of Ouabanginone?
The molecular formula of Ouabanginone is C26H34O5.
What is the molecular weight of Ouabanginone?
The molecular weight of Ouabanginone is 426.24 g/mol.
Where can I buy Ouabanginone?
You can request a quote for Ouabanginone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ouabanginone?
Yes, KEHONG BIO provides custom synthesis services for Ouabanginone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.