TL;DR: Benzyl (2S)-2-[(tert-butoxycarbonyl)amino]-5-oxo-5-phenylpentanoate (CAS 148626-26-0) is a chemical compound with molecular formula C23H27NO5 and molecular weight 397.18893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylpentanoate
Also Known As: 2-veratryloxytetrahydropyran, BENZYL (2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]-5-OXO-5-PHENYLPENTANOATE, benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylpentanoate, (S)-2-tert-Butoxycarbonylamino-5-oxo-5-phenyl-pentanoic acid benzyl ester, benzyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-5-oxo-5-phenylpentanoate
| Molecular Formula | C23H27NO5 |
| Molecular Weight | 397.18893 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 397.18893 Da |
| Heavy Atoms | 29 |
| Complexity | 542.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CCC(=O)C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2 |
| InChIKey | XPCBRAUCIUZVLI-IBGZPJMESA-N |
The XLogP value of 4.0 indicates that Benzyl (2S)-2-[(tert-butoxycarbonyl)amino]-5-oxo-5-phenylpentanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl (2S)-2-[(tert-butoxycarbonyl)amino]-5-oxo-5-phenylpentanoate. Following Lipinski's Rule of Five, Benzyl (2S)-2-[(tert-butoxycarbonyl)amino]-5-oxo-5-phenylpentanoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benzyl (2S)-2-[(tert-butoxycarbonyl)amino]-5-oxo-5-phenylpentanoate is 148626-26-0.
The molecular formula of Benzyl (2S)-2-[(tert-butoxycarbonyl)amino]-5-oxo-5-phenylpentanoate is C23H27NO5.
The molecular weight of Benzyl (2S)-2-[(tert-butoxycarbonyl)amino]-5-oxo-5-phenylpentanoate is 397.18893 g/mol.
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