TL;DR: L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(2,4-dinitrophenyl)- (CAS 25024-53-7) is a chemical compound with molecular formula C17H19N5O8 and molecular weight 421.12335 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-His(Dnp)-OH, Boc-L-His(Dnp)-OH, Boc-His(Dnp)-OH-IPA, Boc-His(Dnp)-OH.IPA, BOC-HIS(DNP)-OH IPA
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H19N5O8 |
| Molecular Weight | 421.12335 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 185.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.12335 Da |
| Heavy Atoms | 30 |
| Complexity | 671.0 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CN(C=N1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
| InChIKey | KPGVUOQMOHGHEW-LBPRGKRZSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(2,4-dinitrophenyl)-. The TPSA of 185.0 Ų indicates high polarity, suggesting L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(2,4-dinitrophenyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(2,4-dinitrophenyl)- has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(2,4-dinitrophenyl)- is 25024-53-7.
The molecular formula of L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(2,4-dinitrophenyl)- is C17H19N5O8.
The molecular weight of L-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-1-(2,4-dinitrophenyl)- is 421.12335 g/mol.
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