地高辛
TL;DR: 地高辛 (CAS 20830-75-5) is a chemical compound with molecular formula C41H64O14 and molecular weight 780.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地高辛
3-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-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: digoxin, Lanicor, Cogoxin, Cardoxin, Dilanacin
| Molecular Formula | C41H64O14 |
|---|---|
| Molecular Weight | 780.43 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 203.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 780.4296 |
| Heavy Atoms | 55 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 20830-75-5 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O |
| InChIKey | LTMHDMANZUZIPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
地高辛 (CAS 20830-75-5), with molecular formula C41H64O14 and molecular weight 780.43 g/mol. IUPAC: 3-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-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.
Chemical Property Profile of 地高辛
Property Insights of 地高辛
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 地高辛. The TPSA of 203.0 Ų indicates high polarity, suggesting 地高辛 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 地高辛 has 6 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 地高辛?
The CAS number of 地高辛 is 20830-75-5.
What is the molecular formula of 地高辛?
The molecular formula of 地高辛 is C41H64O14.
What is the molecular weight of 地高辛?
The molecular weight of 地高辛 is 780.43 g/mol.
Where can I buy 地高辛?
You can request a quote for 地高辛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 地高辛?
Yes, KEHONG BIO provides custom synthesis services for 地高辛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.