TL;DR: N-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}norleucine (CAS 1009244-35-2) is a chemical compound with molecular formula C23H31NO6 and molecular weight 417.21515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxypropanoylamino]hexanoic acid
Also Known As: EiM07-16989, N-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}norleucine, 2-[2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]hexanoic Acid, 2-[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxypropanoylamino]hexanoic acid, 2-(2-((4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy)propanamido)hexanoic acid
| Molecular Formula | C23H31NO6 |
| Molecular Weight | 417.21515 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 417.21515 Da |
| Heavy Atoms | 30 |
| Complexity | 646.0 |
| SMILES | CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CCCC)C(=O)O |
| InChIKey | QFGAYCFKFXEBLG-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that N-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}norleucine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}norleucine. Following Lipinski's Rule of Five, N-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}norleucine has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}norleucine is 1009244-35-2.
The molecular formula of N-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}norleucine is C23H31NO6.
The molecular weight of N-{2-[(4-butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]propanoyl}norleucine is 417.21515 g/mol.
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