TL;DR: Boc-N-Me-Nle-OH (CAS 117903-25-0) is a chemical compound with molecular formula C12H23NO4 and molecular weight 245.1627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid
Also Known As: Boc-N-Me-Nle-OH, Boc-Menle-Oh, Boc-L-MeNle-OH, Boc-N-methyl-L-norleucine, Boc-(NMe)Nle-OH
| Molecular Formula | C12H23NO4 |
| Molecular Weight | 245.1627 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 245.1627 Da |
| Heavy Atoms | 17 |
| Complexity | 270.0 |
| SMILES | CCCC[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C |
| InChIKey | HYGQYTQHPSQSFF-VIFPVBQESA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-N-Me-Nle-OH. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-N-Me-Nle-OH. Following Lipinski's Rule of Five, Boc-N-Me-Nle-OH has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Boc-N-Me-Nle-OH is 117903-25-0.
The molecular formula of Boc-N-Me-Nle-OH is C12H23NO4.
The molecular weight of Boc-N-Me-Nle-OH is 245.1627 g/mol.
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