TL;DR: (5-hydroxy-4-oxo-2-phenylchromen-7-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate (CAS 1212277-02-5) is a chemical compound with molecular formula C29H27NO7 and molecular weight 501.17874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-hydroxy-4-oxo-2-phenylchromen-7-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
Also Known As: (5-hydroxy-4-oxo-2-phenylchromen-7-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate, (R)-5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate
| Molecular Formula | C29H27NO7 |
| Molecular Weight | 501.17874 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 501.17874 Da |
| Heavy Atoms | 37 |
| Complexity | 851.0 |
| SMILES | CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O |
| InChIKey | BJNLEXZEHFYGDD-OAQYLSRUSA-N |
The XLogP value of 5.9 indicates that (5-hydroxy-4-oxo-2-phenylchromen-7-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-hydroxy-4-oxo-2-phenylchromen-7-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate. Following Lipinski's Rule of Five, (5-hydroxy-4-oxo-2-phenylchromen-7-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (5-hydroxy-4-oxo-2-phenylchromen-7-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate is 1212277-02-5.
The molecular formula of (5-hydroxy-4-oxo-2-phenylchromen-7-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate is C29H27NO7.
The molecular weight of (5-hydroxy-4-oxo-2-phenylchromen-7-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate is 501.17874 g/mol.
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