Cinobufotalin
TL;DR: Cinobufotalin (CAS 1108-68-5) is a chemical compound with molecular formula C26H34O7 and molecular weight 458.23044 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,4R,5R,6R,7R,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate
Also Known As: Cinobufotalin, CINOBUFOTLIN, [(2S,4R,5R,6R,7R,11R,14S,16S)-14,16-Dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate, 14,15-beta-epoxy-3-beta,5,16-beta-trihydroxy-5-beta-bufa-20,22-dienolide 16-acetate, (3-beta,5-beta,15-beta,16-beta)-16-(Acetyloxy)-14,15-epoxy-3,5-dihydroxybufa-20,22-dienolide
Technical Specifications
| Molecular Formula | C26H34O7 |
| Molecular Weight | 458.23044 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.23044 Da |
| Heavy Atoms | 33 |
| Complexity | 972.0 |
| SMILES | CC(=O)O[C@@H]1[C@@H]([C@]2(CCC3C([C@@]24[C@@H]1O4)CC[C@]5([C@@]3(CC[C@@H](C5)O)C)O)C)C6=COC(=O)C=C6 |
| InChIKey | KBKUJJFDSHBPPA-JTZFMNKUSA-N |
Chemical Property Profile of Cinobufotalin
Property Insights of Cinobufotalin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinobufotalin. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinobufotalin. Following Lipinski's Rule of Five, Cinobufotalin has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cinobufotalin?
The CAS number of Cinobufotalin is 1108-68-5.
What is the molecular formula of Cinobufotalin?
The molecular formula of Cinobufotalin is C26H34O7.
What is the molecular weight of Cinobufotalin?
The molecular weight of Cinobufotalin is 458.23044 g/mol.
Where can I buy Cinobufotalin?
You can request a quote for Cinobufotalin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cinobufotalin?
Yes, CoreyChem provides custom synthesis services for Cinobufotalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.