TL;DR: 7-methyl-2-oxo-4-propyl-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)pentanoate (CAS 1008202-63-8) 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.
(7-methyl-2-oxo-4-propylchromen-5-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Also Known As: 7-methyl-2-oxo-4-propyl-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)pentanoate, 7-methyl-2-oxo-4-propyl-2H-chromen-5-yl N-(tert-butoxycarbonyl)norvalinate, (7-methyl-2-oxo-4-propylchromen-5-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
| Molecular Formula | C23H31NO6 |
| Molecular Weight | 417.21515 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 417.21515 Da |
| Heavy Atoms | 30 |
| Complexity | 665.0 |
| SMILES | CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(=O)C(CCC)NC(=O)OC(C)(C)C |
| InChIKey | WBHNOPSYPKVOAK-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 7-methyl-2-oxo-4-propyl-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)pentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-methyl-2-oxo-4-propyl-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)pentanoate. Following Lipinski's Rule of Five, 7-methyl-2-oxo-4-propyl-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)pentanoate has 1 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 7-methyl-2-oxo-4-propyl-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)pentanoate is 1008202-63-8.
The molecular formula of 7-methyl-2-oxo-4-propyl-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)pentanoate is C23H31NO6.
The molecular weight of 7-methyl-2-oxo-4-propyl-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)pentanoate is 417.21515 g/mol.
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