TL;DR: 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-[(tert-butoxycarbonyl)amino]butanoate (CAS 1008978-02-6) is a chemical compound with molecular formula C21H27NO6 and molecular weight 389.18384 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,4,7-trimethyl-2-oxochromen-5-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: EiM07-19938, 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-[(tert-butoxycarbonyl)amino]butanoate, (3,4,7-trimethyl-2-oxochromen-5-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate, 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-((tert-butoxycarbonyl)amino)butanoate
| Molecular Formula | C21H27NO6 |
| Molecular Weight | 389.18384 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.18384 Da |
| Heavy Atoms | 28 |
| Complexity | 662.0 |
| SMILES | CCC(C(=O)OC1=CC(=CC2=C1C(=C(C(=O)O2)C)C)C)NC(=O)OC(C)(C)C |
| InChIKey | FERXOJLCIZZBGE-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 3,4,7-trimethyl-2-oxo-2H-chromen-5-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 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-[(tert-butoxycarbonyl)amino]butanoate. Following Lipinski's Rule of Five, 3,4,7-trimethyl-2-oxo-2H-chromen-5-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 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-[(tert-butoxycarbonyl)amino]butanoate is 1008978-02-6.
The molecular formula of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-[(tert-butoxycarbonyl)amino]butanoate is C21H27NO6.
The molecular weight of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-[(tert-butoxycarbonyl)amino]butanoate is 389.18384 g/mol.
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