TL;DR: 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)butanoate (CAS 1031827-37-8) is a chemical compound with molecular formula C25H27NO6 and molecular weight 437.18384 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8-methyl-2-oxo-4-phenylchromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)butanoate, (8-methyl-2-oxo-4-phenyl-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate, (8-methyl-2-oxo-4-phenylchromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate, 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-[(tert-butoxycarbonyl)amino]butanoate
| Molecular Formula | C25H27NO6 |
| Molecular Weight | 437.18384 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 437.18384 Da |
| Heavy Atoms | 32 |
| Complexity | 733.0 |
| SMILES | CCC(C(=O)OC1=C(C2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3)C)NC(=O)OC(C)(C)C |
| InChIKey | FQQQCFFIDKOTJW-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)butanoate 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 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)butanoate. Following Lipinski's Rule of Five, 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)butanoate 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 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)butanoate is 1031827-37-8.
The molecular formula of 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)butanoate is C25H27NO6.
The molecular weight of 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)butanoate is 437.18384 g/mol.
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