TL;DR: 8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate (CAS 1039676-89-5) is a chemical compound with molecular formula C30H23NO7 and molecular weight 509.14746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8-methoxy-6-oxobenzo[c]chromen-3-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate
Also Known As: 8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate, (8-methoxy-6-oxobenzo[c]chromen-3-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate, 8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl {[(benzyloxy)carbonyl]amino}(phenyl)acetate
| Molecular Formula | C30H23NO7 |
| Molecular Weight | 509.14746 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 509.14746 Da |
| Heavy Atoms | 38 |
| Complexity | 821.0 |
| SMILES | COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OC(=O)C(C4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)OC2=O |
| InChIKey | VLUNEHIAOXVAIW-UHFFFAOYSA-N |
The XLogP value of 5.7 indicates that 8-methoxy-6-oxo-6H-benzo[c]chromen-3-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 8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate. Following Lipinski's Rule of Five, 8-methoxy-6-oxo-6H-benzo[c]chromen-3-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 8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate is 1039676-89-5.
The molecular formula of 8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate is C30H23NO7.
The molecular weight of 8-methoxy-6-oxo-6H-benzo[c]chromen-3-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate is 509.14746 g/mol.
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