Digitoxin, acetate, beta-
TL;DR: Digitoxin, acetate, beta- (CAS 5410-41-3) 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.
[4-hydroxy-6-[4-hydroxy-6-[4-hydroxy-6-[[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-3-yl] acetate
Also Known As: beta-Acetyldigitoxin, Decanoyl-coenzyme A, Digitoxin, acetate, beta-, Digitoxin, 4'''-acetate, 4-18-00-01479 (Beilstein Handbook Reference)
| Molecular Formula | C43H66O14 |
|---|---|
| Molecular Weight | 806.45 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 9 |
| Exact Mass | 806.44525 |
| Heavy Atoms | 57 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 5410-41-3 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C)O)O |
| InChIKey | AFTNEYIAJGSGIX-UHFFFAOYSA-N |
Product Overview
Digitoxin, acetate, beta- (CAS 5410-41-3), with molecular formula C43H66O14 and molecular weight 806.45 g/mol. IUPAC: [4-hydroxy-6-[4-hydroxy-6-[4-hydroxy-6-[[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-3-yl] acetate.
Chemical Property Profile of Digitoxin, acetate, beta-
Property Insights of Digitoxin, acetate, beta-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Digitoxin, acetate, beta-. The TPSA of 189.0 Ų indicates high polarity, suggesting Digitoxin, acetate, beta- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Digitoxin, acetate, beta- 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 Digitoxin, acetate, beta-?
The CAS number of Digitoxin, acetate, beta- is 5410-41-3.
What is the molecular formula of Digitoxin, acetate, beta-?
The molecular formula of Digitoxin, acetate, beta- is C43H66O14.
What is the molecular weight of Digitoxin, acetate, beta-?
The molecular weight of Digitoxin, acetate, beta- is 806.45 g/mol.
Where can I buy Digitoxin, acetate, beta-?
You can request a quote for Digitoxin, acetate, beta- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Digitoxin, acetate, beta-?
Yes, KEHONG BIO provides custom synthesis services for Digitoxin, acetate, beta- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.