TL;DR: 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-2-phenylacetate (CAS 1023936-18-6) is a chemical compound with molecular formula C29H27NO6 and molecular weight 485.18384 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8-methyl-2-oxo-4-phenylchromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
Also Known As: 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-2-phenylacetate, 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl [(tert-butoxycarbonyl)amino](phenyl)acetate, (8-methyl-2-oxo-4-phenyl-chromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-acetate, (8-methyl-2-oxo-4-phenylchromen-7-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
| Molecular Formula | C29H27NO6 |
| Molecular Weight | 485.18384 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.18384 Da |
| Heavy Atoms | 36 |
| Complexity | 833.0 |
| SMILES | CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OC(=O)C(C4=CC=CC=C4)NC(=O)OC(C)(C)C |
| InChIKey | WHCNCCJGQQSKRR-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)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 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-2-phenylacetate. Following Lipinski's Rule of Five, 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-2-phenylacetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-2-phenylacetate is 1023936-18-6.
The molecular formula of 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-2-phenylacetate is C29H27NO6.
The molecular weight of 8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-2-phenylacetate is 485.18384 g/mol.
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