Acetyldigitoxin
TL;DR: Acetyldigitoxin (CAS 1329-76-6) is a chemical compound with molecular formula C43H66O14 and molecular weight 806.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,6S)-3-hydroxy-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate
Also Known As: acetyldigitoxin, Acylanid, Acetildigitoxina, Acetyldiginatin, alpha-Acetyldigitoxin
| Molecular Formula | C43H66O14 |
|---|---|
| Molecular Weight | 806.45 g/mol |
| LogP | 3.8181 |
| Topological Polar Surface Area | 188.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 806.44525 |
| Heavy Atoms | 57 |
| Complexity | 1499.7415 |
Chemical Identifiers
| CAS Number | 1329-76-6 |
|---|---|
| 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)OC(=O)C)O |
Product Overview
Acetyldigitoxin (CAS 1329-76-6), with molecular formula C43H66O14 and molecular weight 806.45 g/mol. IUPAC: [(2R,3R,4S,6S)-3-hydroxy-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate.
Chemical Property Profile of Acetyldigitoxin
Property Insights of Acetyldigitoxin
The XLogP value of 3.8181 indicates that Acetyldigitoxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 188.9 Ų indicates high polarity, suggesting Acetyldigitoxin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetyldigitoxin has 4 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetyldigitoxin?
The CAS number of Acetyldigitoxin is 1329-76-6.
What is the molecular formula of Acetyldigitoxin?
The molecular formula of Acetyldigitoxin is C43H66O14.
What is the molecular weight of Acetyldigitoxin?
The molecular weight of Acetyldigitoxin is 806.45 g/mol.
Where can I buy Acetyldigitoxin?
You can request a quote for Acetyldigitoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyldigitoxin?
Yes, KEHONG BIO provides custom synthesis services for Acetyldigitoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.