TL;DR: 4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate (CAS 1024021-01-9) is a chemical compound with molecular formula C32H25NO7 and molecular weight 535.1631 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(4-methoxyphenyl)-2-oxochromen-7-yl] 2-phenyl-2-(phenylmethoxycarbonylamino)acetate
Also Known As: 4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate, [4-(4-methoxyphenyl)-2-oxo-chromen-7-yl] 2-phenyl-2-phenylmethoxycarbonylamino-acetate, [4-(4-methoxyphenyl)-2-oxochromen-7-yl] 2-phenyl-2-(phenylmethoxycarbonylamino)acetate, 4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl {[(benzyloxy)carbonyl]amino}(phenyl)acetate
| Molecular Formula | C32H25NO7 |
| Molecular Weight | 535.1631 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 535.1631 Da |
| Heavy Atoms | 40 |
| Complexity | 899.0 |
| SMILES | COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OC(=O)C(C4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5 |
| InChIKey | YUNFAEOCZPDOJO-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate. Following Lipinski's Rule of Five, 4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate is 1024021-01-9.
The molecular formula of 4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate is C32H25NO7.
The molecular weight of 4-(4-methoxyphenyl)-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate is 535.1631 g/mol.
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