Bufotaline
TL;DR: Bufotaline (CAS 471-95-4) is a chemical compound with molecular formula C26H36O6 and molecular weight 444.2512 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,5R,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
Also Known As: Bufotaline, Bufotalin, KST-1A5105, 3beta-14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide, (3
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C26H36O6 |
| Molecular Weight | 444.2512 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.2512 Da |
| Heavy Atoms | 32 |
| Complexity | 878.0 |
| SMILES | CC(=O)O[C@H]1C[C@@]2(C3CC[C@@H]4C[C@H](CC[C@@]4(C3CC[C@@]2([C@H]1C5=COC(=O)C=C5)C)C)O)O |
| InChIKey | VOZHMAYHYHEWBW-JNUCAMJOSA-N |
Product Description
Applications: Bufotaline is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Bufotaline (CAS 471-95-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Bufotaline is a pharmaceutical intermediate identified by CAS number 471-95-4 and the molecular formula C26H36O6 and a molecular weight of 444.25 g/mol. It is also known as Bufotaline and Bufotalin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Bufotaline
Property Insights of Bufotaline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bufotaline. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Bufotaline. Following Lipinski's Rule of Five, Bufotaline has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bufotaline?
The CAS number of Bufotaline is 471-95-4.
What is the molecular formula of Bufotaline?
The molecular formula of Bufotaline is C26H36O6.
What is the molecular weight of Bufotaline?
The molecular weight of Bufotaline is 444.2512 g/mol.
What are the applications of Bufotaline?
Bufotaline is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Bufotaline (CAS 471-95-4) with custom synthesis available from...
Where can I buy Bufotaline?
You can request a quote for Bufotaline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bufotaline?
Yes, CoreyChem provides custom synthesis services for Bufotaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.