TL;DR: 4-nitrobenzoyl N-phenylalanylhydroxamate (CAS 152503-42-9) is a chemical compound with molecular formula C16H16ClN3O5 and molecular weight 365.07785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[[(2S)-2-amino-3-phenylpropanoyl]amino] 4-nitrobenzoate;hydrochloride
Also Known As: 4-NO2Bz N-pheh, 4-Nitrobenzoyl N-phenylalanylhydroxamate, N-Phenylalanyl-O-4-nitrobenzoylhydroxamate monohydrochloride, [[(2S)-2-amino-3-phenylpropanoyl]amino] 4-nitrobenzoate hydrochloride, [[(2S)-2-amino-3-phenylpropanoyl]amino] 4-nitrobenzoate;hydrochloride
| Molecular Formula | C16H16ClN3O5 |
| Molecular Weight | 365.07785 g/mol |
| XLogP | 1.7746 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.07785 Da |
| Heavy Atoms | 25 |
| Complexity | 451.0 |
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N.Cl |
| InChIKey | BUWLRRTVJFJWLY-UQKRIMTDSA-N |
The XLogP value of 1.7746 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-nitrobenzoyl N-phenylalanylhydroxamate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-nitrobenzoyl N-phenylalanylhydroxamate. Following Lipinski's Rule of Five, 4-nitrobenzoyl N-phenylalanylhydroxamate has 3 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-nitrobenzoyl N-phenylalanylhydroxamate is 152503-42-9.
The molecular formula of 4-nitrobenzoyl N-phenylalanylhydroxamate is C16H16ClN3O5.
The molecular weight of 4-nitrobenzoyl N-phenylalanylhydroxamate is 365.07785 g/mol.
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