TL;DR: 6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate (CAS 1040241-50-6) is a chemical compound with molecular formula C24H24ClNO6 and molecular weight 457.1292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-chloro-4-ethyl-2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
Also Known As: 6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate, 6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-2-phenylacetate, (6-chloro-4-ethyl-2-oxo-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-acetate, (6-chloro-4-ethyl-2-oxochromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
| Molecular Formula | C24H24ClNO6 |
| Molecular Weight | 457.1292 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.1292 Da |
| Heavy Atoms | 32 |
| Complexity | 739.0 |
| SMILES | CCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(C3=CC=CC=C3)NC(=O)OC(C)(C)C |
| InChIKey | ZMDBXTKRCQSZQV-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate 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 6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate. Following Lipinski's Rule of Five, 6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate is 1040241-50-6.
The molecular formula of 6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate is C24H24ClNO6.
The molecular weight of 6-chloro-4-ethyl-2-oxo-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate is 457.1292 g/mol.
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