甲地高辛
TL;DR: 甲地高辛 (CAS 30685-43-9) is a chemical compound with molecular formula C42H66O14 and molecular weight 794.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲地高辛
3-[12,14-dihydroxy-3-[4-hydroxy-5-[4-hydroxy-5-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-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: metildigoxin, -Methyl Digoxin, 3-[12,14-dihydroxy-3-[4-hydroxy-5-[4-hydroxy-5-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-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
| Molecular Formula | C42H66O14 |
|---|---|
| Molecular Weight | 794.45 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 794.44525 |
| Heavy Atoms | 56 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 30685-43-9 |
|---|---|
| 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)OC |
| InChIKey | IYJMSDVSVHDVGT-UHFFFAOYSA-N |
Product Overview
甲地高辛 (CAS 30685-43-9), with molecular formula C42H66O14 and molecular weight 794.45 g/mol. IUPAC: 3-[12,14-dihydroxy-3-[4-hydroxy-5-[4-hydroxy-5-(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-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 甲地高辛
Property Insights of 甲地高辛
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲地高辛. The TPSA of 192.0 Ų indicates high polarity, suggesting 甲地高辛 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, metildigoxin has 5 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 metildigoxin?
The CAS number of metildigoxin is 30685-43-9.
What is the molecular formula of metildigoxin?
The molecular formula of metildigoxin is C42H66O14.
What is the molecular weight of metildigoxin?
The molecular weight of metildigoxin is 794.45 g/mol.
Where can I buy metildigoxin?
You can request a quote for metildigoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for metildigoxin?
Yes, KEHONG BIO provides custom synthesis services for metildigoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.