TL;DR: 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate (CAS 1031423-15-0) is a chemical compound with molecular formula C27H23NO6 and molecular weight 457.15253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4,8-dimethyl-2-oxochromen-7-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate
Also Known As: 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate, (4,8-dimethyl-2-oxo-chromen-7-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate, (4,8-dimethyl-2-oxochromen-7-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate
| Molecular Formula | C27H23NO6 |
| Molecular Weight | 457.15253 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 | 457.15253 Da |
| Heavy Atoms | 34 |
| Complexity | 767.0 |
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2C)OC(=O)C(C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4 |
| InChIKey | DMMZBWMNNCNFRO-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 4,8-dimethyl-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 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate. Following Lipinski's Rule of Five, 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate 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 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate is 1031423-15-0.
The molecular formula of 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate is C27H23NO6.
The molecular weight of 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate is 457.15253 g/mol.
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