TL;DR: Isovaleryl-valyl-valyl-(4-amino-2,2-difluoro-3-hydroxy-N,6-dimethylheptanamide) (CAS 140873-66-1) is a chemical compound with molecular formula C24H44F2N4O5 and molecular weight 506.32797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4R)-2,2-difluoro-3-hydroxy-N,6-dimethyl-4-[[(2S)-3-methyl-1-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-1-oxobutan-2-yl]amino]heptanamide
Also Known As: Ivv-staf2-nhme, Isovaleryl-val-val-staf2NHCH3, Isovaleryl-valyl-valyl-difluorostatine methylamide, (3R,4R)-2,2-difluoro-3-hydroxy-N,6-dimethyl-4-[[(2S)-3-methyl-1-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-1-oxobutan-2-yl]amino]heptanamide, Isovaleryl-valyl-valyl-(4-amino-2,2-difluoro-3-hydroxy-N,6-dimethylheptanamide)
| Molecular Formula | C24H44F2N4O5 |
| Molecular Weight | 506.32797 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 506.32797 Da |
| Heavy Atoms | 35 |
| Complexity | 729.0 |
| SMILES | CC(C)C[C@H]([C@H](C(C(=O)NC)(F)F)O)N[C@@H](C(C)C)C(=O)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C |
| InChIKey | JQOQTKVLGGHNRG-BTHPGYMESA-N |
The XLogP value of 3.4 indicates that Isovaleryl-valyl-valyl-(4-amino-2,2-difluoro-3-hydroxy-N,6-dimethylheptanamide) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isovaleryl-valyl-valyl-(4-amino-2,2-difluoro-3-hydroxy-N,6-dimethylheptanamide). Following Lipinski's Rule of Five, Isovaleryl-valyl-valyl-(4-amino-2,2-difluoro-3-hydroxy-N,6-dimethylheptanamide) has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Isovaleryl-valyl-valyl-(4-amino-2,2-difluoro-3-hydroxy-N,6-dimethylheptanamide) is 140873-66-1.
The molecular formula of Isovaleryl-valyl-valyl-(4-amino-2,2-difluoro-3-hydroxy-N,6-dimethylheptanamide) is C24H44F2N4O5.
The molecular weight of Isovaleryl-valyl-valyl-(4-amino-2,2-difluoro-3-hydroxy-N,6-dimethylheptanamide) is 506.32797 g/mol.
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