digoxin-iodohistamine(bis(O-carboxymethyloxime))
TL;DR: digoxin-iodohistamine(bis(O-carboxymethyloxime)) (CAS 142078-77-1) is a chemical compound with molecular formula C55H80I2N8O16 and molecular weight 1358.3785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(E)-[3-[6-[6-[[12,14-dihydroxy-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]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-3-[(1E)-1-[2-[2-(4-(125I)iodo-1H-imidazol-5-yl)ethylamino]-2-oxoethoxy]iminopropan-2-yl]oxypropylidene]amino]oxy-N-[2-(4-(125I)iodo-1H-imidazol-5-yl)ethyl]acetamide
Also Known As: Dihbco, Digoxin-iodohistamine(bis(O-carboxymethyloxime)), 2-[(E)-[3-[6-[6-[[12,14-dihydroxy-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]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-3-[(1E)-1-[2-[2-(4-(125I)iodanyl-1H-imidazol-5-yl)ethylamino]-2-oxoethoxy]iminopropan-2-yl]oxypropylidene]amino]oxy-N-[2-(4-(125I)iodanyl-1H-imidazol-5-yl)ethyl]acetamide
Technical Specifications
| Molecular Formula | C55H80I2N8O16 |
| Molecular Weight | 1358.3785 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 321.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 24 |
| Exact Mass | 1358.3785 Da |
| Heavy Atoms | 81 |
| Complexity | 2230.0 |
| SMILES | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC(C/C=N/OCC(=O)NCCC8=C(N=CN8)[125I])OC(C)/C=N/OCC(=O)NCCC9=C(N=CN9)[125I])O |
| InChIKey | YMJSUCJSHDPZGU-DYNKCWONSA-N |
Chemical Property Profile of digoxin-iodohistamine(bis(O-carboxymethyloxime))
Property Insights of digoxin-iodohistamine(bis(O-carboxymethyloxime))
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for digoxin-iodohistamine(bis(O-carboxymethyloxime)). The TPSA of 321.0 Ų indicates high polarity, suggesting digoxin-iodohistamine(bis(O-carboxymethyloxime)) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, digoxin-iodohistamine(bis(O-carboxymethyloxime)) has 8 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of digoxin-iodohistamine(bis(O-carboxymethyloxime))?
The CAS number of digoxin-iodohistamine(bis(O-carboxymethyloxime)) is 142078-77-1.
What is the molecular formula of digoxin-iodohistamine(bis(O-carboxymethyloxime))?
The molecular formula of digoxin-iodohistamine(bis(O-carboxymethyloxime)) is C55H80I2N8O16.
What is the molecular weight of digoxin-iodohistamine(bis(O-carboxymethyloxime))?
The molecular weight of digoxin-iodohistamine(bis(O-carboxymethyloxime)) is 1358.3785 g/mol.
Where can I buy digoxin-iodohistamine(bis(O-carboxymethyloxime))?
You can request a quote for digoxin-iodohistamine(bis(O-carboxymethyloxime)) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for digoxin-iodohistamine(bis(O-carboxymethyloxime))?
Yes, CoreyChem provides custom synthesis services for digoxin-iodohistamine(bis(O-carboxymethyloxime)) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.