TL;DR: 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-[(tert-butoxycarbonyl)amino]butanoate (CAS 1040369-72-9) is a chemical compound with molecular formula C22H28ClNO6 and molecular weight 437.16052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-butyl-6-chloro-2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Also Known As: EiM07-20321, 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-[(tert-butoxycarbonyl)amino]butanoate, (4-butyl-6-chloro-2-oxo-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate, (4-butyl-6-chloro-2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate, 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)butanoate
| Molecular Formula | C22H28ClNO6 |
| Molecular Weight | 437.16052 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 437.16052 Da |
| Heavy Atoms | 30 |
| Complexity | 671.0 |
| SMILES | CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CC)NC(=O)OC(C)(C)C |
| InChIKey | GSGBLZDQXFHGBU-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 4-butyl-6-chloro-2-oxo-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 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-[(tert-butoxycarbonyl)amino]butanoate. Following Lipinski's Rule of Five, 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-[(tert-butoxycarbonyl)amino]butanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-[(tert-butoxycarbonyl)amino]butanoate is 1040369-72-9.
The molecular formula of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-[(tert-butoxycarbonyl)amino]butanoate is C22H28ClNO6.
The molecular weight of 4-butyl-6-chloro-2-oxo-2H-chromen-7-yl 2-[(tert-butoxycarbonyl)amino]butanoate is 437.16052 g/mol.
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