TL;DR: RefChem:551819 (CAS 51897-39-3) is a chemical compound with molecular formula C21H21N7O5 and molecular weight 451.16043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[(2,6-dicyano-4-nitrophenyl)diazenyl]-5-[2,3-dihydroxypropyl(ethyl)amino]phenyl]acetamide
Also Known As: Acetamide, N-(2-((2,6-dicyano-4-nitrophenyl)azo)-5-((2,3-dihydroxypropyl)ethylamino)phenyl)-, Acetamide, N-(2-(2-(2,6-dicyano-4-nitrophenyl)diazenyl)-5-((2,3-dihydroxypropyl)ethylamino)phenyl)-, Acetamide, N-[2-[(2,6-dicyano-4-nitrophenyl)azo]-5-[(2,3-dihydroxypropyl)ethylamino]phenyl]-, Acetamide, N-[2-[2-(2,6-dicyano-4-nitrophenyl)diazenyl]-5-[(2,3-dihydroxypropyl)ethylamino]phenyl]-, ACETAMIDE,N-[2-[(2,6-DICYANO-4-NITROPHENYL)AZO]-5-[(2,3-DIHYDROXYPROPYL)ETHYLAMINO]PHENYL]-
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C21H21N7O5 |
| Molecular Weight | 451.16043 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 191.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.16043 Da |
| Heavy Atoms | 33 |
| Complexity | 787.0 |
| SMILES | CCN(CC(CO)O)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)NC(=O)C |
| InChIKey | WGGMGCJXXYYGKF-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:551819. The TPSA of 191.0 Ų indicates high polarity, suggesting RefChem:551819 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:551819 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:551819 is 51897-39-3.
The molecular formula of RefChem:551819 is C21H21N7O5.
The molecular weight of RefChem:551819 is 451.16043 g/mol.
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