Cinobufotalin
TL;DR: Cinobufotalin (CAS 11108-68-2) is a chemical compound with molecular formula C26H34O7 and molecular weight 458.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,2S,4R,5R,6R,7R,10S,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, Cinobufotalin?, Cinobufagin metabolite m-2, CINOBUFOTALIN [MI]
| Molecular Formula | C26H34O7 |
|---|---|
| Molecular Weight | 458.23 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.23044 |
| Heavy Atoms | 33 |
| Complexity | 972.0 |
Chemical Identifiers
| CAS Number | 11108-68-2 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([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-ZNCGZLKOSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cinobufotalin (CAS 11108-68-2), with molecular formula C26H34O7 and molecular weight 458.23 g/mol. IUPAC: [(1R,2S,4R,5R,6R,7R,10S,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.
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
Frequently Asked Questions
What is the CAS number of Cinobufotalin?
The CAS number of Cinobufotalin is 11108-68-2.
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 458.23 g/mol.
Where can I buy Cinobufotalin?
You can request a quote for Cinobufotalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinobufotalin?
Yes, KEHONG BIO provides custom synthesis services for Cinobufotalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.