N-dinitrophenyl-l-histidine
TL;DR: N-dinitrophenyl-l-histidine (CAS 114251-19-3) is a chemical compound with molecular formula C12H11N5O6 and molecular weight 321.07092 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4-dinitroanilino)-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: N-dinitrophenyl-l-histidine, n-(2,4-dinitrophenyl)histidine, L-Histidine,4-dinitrophenyl)-, L-Histidine, N-(2,4-dinitrophenyl)-, Nalpha-(2,4-dinitro-phenyl)-DL-histidine
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H11N5O6 |
| Molecular Weight | 321.07092 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.07092 Da |
| Heavy Atoms | 23 |
| Complexity | 464.0 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CC2=CN=CN2)C(=O)O |
| InChIKey | RPPYNKNJCFLFSG-UHFFFAOYSA-N |
Chemical Property Profile of N-dinitrophenyl-l-histidine
Property Insights of N-dinitrophenyl-l-histidine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-dinitrophenyl-l-histidine. The TPSA of 170.0 Ų indicates high polarity, suggesting N-dinitrophenyl-l-histidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-dinitrophenyl-l-histidine has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-dinitrophenyl-l-histidine?
The CAS number of N-dinitrophenyl-l-histidine is 114251-19-3.
What is the molecular formula of N-dinitrophenyl-l-histidine?
The molecular formula of N-dinitrophenyl-l-histidine is C12H11N5O6.
What is the molecular weight of N-dinitrophenyl-l-histidine?
The molecular weight of N-dinitrophenyl-l-histidine is 321.07092 g/mol.
Where can I buy N-dinitrophenyl-l-histidine?
You can request a quote for N-dinitrophenyl-l-histidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-dinitrophenyl-l-histidine?
Yes, CoreyChem provides custom synthesis services for N-dinitrophenyl-l-histidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.