TL;DR: 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate (CAS 1008858-13-6) is a chemical compound with molecular formula C23H23NO6 and molecular weight 409.15253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4,8-dimethyl-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate
Also Known As: EiM07-19778, 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate, (4,8-dimethyl-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate, 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-(((benzyloxy)carbonyl)amino)butanoate
| Molecular Formula | C23H23NO6 |
| Molecular Weight | 409.15253 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.15253 Da |
| Heavy Atoms | 30 |
| Complexity | 669.0 |
| SMILES | CCC(C(=O)OC1=C(C2=C(C=C1)C(=CC(=O)O2)C)C)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | BUZRORRARWNAQA-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate 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 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate. Following Lipinski's Rule of Five, 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate is 1008858-13-6.
The molecular formula of 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate is C23H23NO6.
The molecular weight of 4,8-dimethyl-2-oxo-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}butanoate is 409.15253 g/mol.
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