TL;DR: 25-Des((1E)-1,3-dimethylbut-1-enyl)-25-((1E)-1-methylprop-1-enyl)moxidectin (CAS 114041-32-6) is a chemical compound with molecular formula C35H49NO8 and molecular weight 611.3458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,4S,4'E,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-6'-[(E)-but-2-en-2-yl]-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Also Known As: Moxidectin EP Impurity A, Moxicillin EP impurity A, Moxidectin specified impurity A, MOXIDECTIN IMPURITY A, 25-Des((1E)-1,3-dimethylbut-1-enyl)-25-((1E)-1-methylprop-1-enyl)moxidectin
| Molecular Formula | C35H49NO8 |
| Molecular Weight | 611.3458 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 611.3458 Da |
| Heavy Atoms | 44 |
| Complexity | 1300.0 |
| SMILES | C/C=C(\C)/[C@@H]1[C@H](/C(=N/OC)/C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)\C)C |
| InChIKey | VWNUJDDJQVXJMO-JVTOKJLCSA-N |
The XLogP value of 3.5 indicates that 25-Des((1E)-1,3-dimethylbut-1-enyl)-25-((1E)-1-methylprop-1-enyl)moxidectin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 25-Des((1E)-1,3-dimethylbut-1-enyl)-25-((1E)-1-methylprop-1-enyl)moxidectin. Following Lipinski's Rule of Five, 25-Des((1E)-1,3-dimethylbut-1-enyl)-25-((1E)-1-methylprop-1-enyl)moxidectin has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 25-Des((1E)-1,3-dimethylbut-1-enyl)-25-((1E)-1-methylprop-1-enyl)moxidectin is 114041-32-6.
The molecular formula of 25-Des((1E)-1,3-dimethylbut-1-enyl)-25-((1E)-1-methylprop-1-enyl)moxidectin is C35H49NO8.
The molecular weight of 25-Des((1E)-1,3-dimethylbut-1-enyl)-25-((1E)-1-methylprop-1-enyl)moxidectin is 611.3458 g/mol.
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