Digoxin, propionate
TL;DR: Digoxin, propionate (CAS 73987-53-8) is a chemical compound with molecular formula C44H68O15 and molecular weight 836.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R,8R,9S,10S,12R,13S,17R)-3-[(2S,4S,5R,6R)-4,5-bis[[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy]-6-methyloxan-2-yl]oxy-12-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-14-yl] propanoate
Also Known As: Digoxin, propionate, Propionyldigoxin, Propionyldigoxin [German], [(3S,5R,8R,9S,10S,12R,13S,17R)-3-[(2S,4S,5R,6R)-4,5-bis[[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy]-6-methyloxan-2-yl]oxy-12-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-14-yl] propanoate, Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, monopropanoate, (3.beta.,5.beta.,12.beta.)-
| Molecular Formula | C44H68O15 |
|---|---|
| Molecular Weight | 836.46 g/mol |
| LogP | 3.179 |
| Topological Polar Surface Area | 209.13 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 836.4558 |
| Heavy Atoms | 59 |
| Complexity | 1551.618 |
Chemical Identifiers
| CAS Number | 73987-53-8 |
|---|---|
| SMILES | CCC(=O)OC12CC[C@@H]([C@]1([C@@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O[C@@H]5C[C@@H]([C@@H]([C@H](O5)C)O[C@@H]6C[C@@H]([C@@H]([C@H](O6)C)O)O)O[C@@H]7C[C@@H]([C@@H]([C@H](O7)C)O)O)C)O)C)C8=CC(=O)OC8 |
Product Overview
Digoxin, propionate (CAS 73987-53-8), with molecular formula C44H68O15 and molecular weight 836.46 g/mol. IUPAC: [(3S,5R,8R,9S,10S,12R,13S,17R)-3-[(2S,4S,5R,6R)-4,5-bis[[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy]-6-methyloxan-2-yl]oxy-12-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-14-yl] propanoate.
Chemical Property Profile of Digoxin, propionate
Property Insights of Digoxin, propionate
The XLogP value of 3.179 indicates that Digoxin, propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 209.13 Ų indicates high polarity, suggesting Digoxin, propionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Digoxin, propionate has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Digoxin, propionate?
The CAS number of Digoxin, propionate is 73987-53-8.
What is the molecular formula of Digoxin, propionate?
The molecular formula of Digoxin, propionate is C44H68O15.
What is the molecular weight of Digoxin, propionate?
The molecular weight of Digoxin, propionate is 836.46 g/mol.
Where can I buy Digoxin, propionate?
You can request a quote for Digoxin, propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digoxin, propionate?
Yes, KEHONG BIO provides custom synthesis services for Digoxin, propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.