TL;DR: 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate (CAS 1024020-39-0) is a chemical compound with molecular formula C28H25NO6 and molecular weight 471.16818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,4,7-trimethyl-2-oxochromen-5-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate
Also Known As: 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate, (3,4,7-trimethyl-2-oxo-chromen-5-yl) 2-phenyl-2-phenylmethoxycarbonylamino-acetate, (3,4,7-trimethyl-2-oxochromen-5-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate, 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl {[(benzyloxy)carbonyl]amino}(phenyl)acetate
| Molecular Formula | C28H25NO6 |
| Molecular Weight | 471.16818 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.16818 Da |
| Heavy Atoms | 35 |
| Complexity | 810.0 |
| SMILES | CC1=CC2=C(C(=C(C(=O)O2)C)C)C(=C1)OC(=O)C(C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4 |
| InChIKey | DMQWSBLLENRROZ-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 3,4,7-trimethyl-2-oxo-2H-chromen-5-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 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate. Following Lipinski's Rule of Five, 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)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 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate is 1024020-39-0.
The molecular formula of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate is C28H25NO6.
The molecular weight of 3,4,7-trimethyl-2-oxo-2H-chromen-5-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate is 471.16818 g/mol.
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