TL;DR: 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl {[(benzyloxy)carbonyl]amino}(phenyl)acetate (CAS 1044146-05-5) is a chemical compound with molecular formula C29H25NO6 and molecular weight 483.16818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate
Also Known As: 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl {[(benzyloxy)carbonyl]amino}(phenyl)acetate, (6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-phenyl-2-(phenylmethoxycarbonylamino)acetate, 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 2-(((benzyloxy)carbonyl)amino)-2-phenylacetate
| Molecular Formula | C29H25NO6 |
| Molecular Weight | 483.16818 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 483.16818 Da |
| Heavy Atoms | 36 |
| Complexity | 856.0 |
| SMILES | CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OC(=O)C(C4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5 |
| InChIKey | KVQBIGLMZDEXJS-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl {[(benzyloxy)carbonyl]amino}(phenyl)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 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl {[(benzyloxy)carbonyl]amino}(phenyl)acetate. Following Lipinski's Rule of Five, 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl {[(benzyloxy)carbonyl]amino}(phenyl)acetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl {[(benzyloxy)carbonyl]amino}(phenyl)acetate is 1044146-05-5.
The molecular formula of 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl {[(benzyloxy)carbonyl]amino}(phenyl)acetate is C29H25NO6.
The molecular weight of 6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl {[(benzyloxy)carbonyl]amino}(phenyl)acetate is 483.16818 g/mol.
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