TL;DR: Antimycin A3 methyl ether FH-25 (CAS 118890-42-9) is a chemical compound with molecular formula C54H76N4O18 and molecular weight 1068.5155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-methoxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylbutanoate;[(2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-methoxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
Also Known As: Antimycin A3 methyl ether FH-25, NCI60_041055, (2R,3S,6S,7R,8R)-8-Butyl-3-(3-formamido-2-methoxybenzamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylbutanoate--(2R,3S,6S,7R,8R)-8-butyl-3-(3-formamido-2-methoxybenzamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate (1/1), [(2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-methoxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylbutanoate; [(2R,3S,6S,7R,8R)-8-butyl-3-[(3-formamido-2-methoxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
| Molecular Formula | C54H76N4O18 |
| Molecular Weight | 1068.5155 g/mol |
| XLogP | 6.0064 |
| Topological Polar Surface Area (TPSA) | 293.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 22 |
| Exact Mass | 1068.5155 Da |
| Heavy Atoms | 76 |
| Complexity | 1670.0 |
| SMILES | CCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)CC(C)C.CCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)C(C)CC |
| InChIKey | LKOJXCYSXSJOKD-GFDRACFDSA-N |
The XLogP value of 6.0064 indicates that Antimycin A3 methyl ether FH-25 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 293.0 Ų indicates high polarity, suggesting Antimycin A3 methyl ether FH-25 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Antimycin A3 methyl ether FH-25 has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Antimycin A3 methyl ether FH-25 is 118890-42-9.
The molecular formula of Antimycin A3 methyl ether FH-25 is C54H76N4O18.
The molecular weight of Antimycin A3 methyl ether FH-25 is 1068.5155 g/mol.
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