digitoxin
TL;DR: digitoxin (CAS 87112-48-9) is a chemical compound with molecular formula C41H64O13 and molecular weight 764.4347 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3S,5R,8R,9S,10S,13R,14S,17S)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: digitoxin, Digitophyllin, Digitoxosidum, Asthenthilo, Cardidigin
Technical Specifications
| Molecular Formula | C41H64O13 |
| Molecular Weight | 764.4347 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 183.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 764.4347 Da |
| Heavy Atoms | 54 |
| Complexity | 1410.0 |
| SMILES | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O |
| InChIKey | WDJUZGPOPHTGOT-ADSZZZNASA-N |
Product Description
Applications: digitoxin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies digitoxin (CAS 87112-48-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
digitoxin (CAS 87112-48-9) is a fine chemical with the molecular formula C41H64O13 and a molecular weight of 764.43 g/mol. It is also known as digitoxin and Digitophyllin.
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 digitoxin
Property Insights of digitoxin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for digitoxin. The TPSA of 183.0 Ų indicates high polarity, suggesting digitoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, digitoxin has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of digitoxin?
The CAS number of digitoxin is 87112-48-9.
What is the molecular formula of digitoxin?
The molecular formula of digitoxin is C41H64O13.
What is the molecular weight of digitoxin?
The molecular weight of digitoxin is 764.4347 g/mol.
What are the applications of digitoxin?
digitoxin is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies digitoxin (CAS 87112-48-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS...
Where can I buy digitoxin?
You can request a quote for digitoxin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for digitoxin?
Yes, CoreyChem provides custom synthesis services for digitoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.