TL;DR: (4-methyl-6-oxobenzo[c]chromen-3-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate (CAS 1038619-50-9) is a chemical compound with molecular formula C30H23NO6 and molecular weight 493.15253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methyl-6-oxobenzo[c]chromen-3-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate
Also Known As: (4-methyl-6-oxobenzo[c]chromen-3-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate, 4-methyl-6-oxo-6H-benzo[c]chromen-3-yl {[(benzyloxy)carbonyl]amino}(phenyl)acetate, 4-methyl-6-oxo-6H-benzo[c]chromen-3-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate
| Molecular Formula | C30H23NO6 |
| Molecular Weight | 493.15253 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 493.15253 Da |
| Heavy Atoms | 37 |
| Complexity | 804.0 |
| SMILES | CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)OC(=O)C(C4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5 |
| InChIKey | LRBSQUNJRNFYIY-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that (4-methyl-6-oxobenzo[c]chromen-3-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate 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-methyl-6-oxobenzo[c]chromen-3-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate. Following Lipinski's Rule of Five, (4-methyl-6-oxobenzo[c]chromen-3-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (4-methyl-6-oxobenzo[c]chromen-3-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate is 1038619-50-9.
The molecular formula of (4-methyl-6-oxobenzo[c]chromen-3-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate is C30H23NO6.
The molecular weight of (4-methyl-6-oxobenzo[c]chromen-3-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate is 493.15253 g/mol.
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