TL;DR: N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}norvaline (CAS 1009286-12-7) 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-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanoic acid
Also Known As: EiM07-17067, N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}norvaline, 2-[[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]pentanoic Acid, 2-[[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanoic acid, 2-(2-((3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)pentanoic acid
| Molecular Formula | C23H31NO6 |
| Molecular Weight | 417.21515 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 417.21515 Da |
| Heavy Atoms | 30 |
| Complexity | 644.0 |
| SMILES | CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)NC(CCC)C(=O)O)OC1=O)C |
| InChIKey | LFXOXUVLWVTOMG-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}norvaline 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-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}norvaline. Following Lipinski's Rule of Five, N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}norvaline 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-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}norvaline is 1009286-12-7.
The molecular formula of N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}norvaline is C23H31NO6.
The molecular weight of N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}norvaline is 417.21515 g/mol.
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