TL;DR: Nitro-paps (CAS 143205-66-7) is a chemical compound with molecular formula C17H20N5NaO6S and molecular weight 445.1032 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 3-[3-hydroxy-4-[(5-nitro-2-pyridinyl)diazenyl]-N-propylanilino]propane-1-sulfonate
Also Known As: Nitro-paps, 2-(5-Nitro-2-pyridylazo)-5-(N-propyl-N-sulfopropylamino)phenol, sodium;3-[3-hydroxy-4-[(5-nitropyridin-2-yl)diazenyl]-N-propylanilino]propane-1-sulfonate, 1-Propanesulfonic acid, 3-((3-hydroxy-4-((5-nitro-2-pyridinyl)azo)phenyl)propylamino)-, monosodium salt, Nitro-pap1-Propanesulfonic acid, 3-[[3-hydroxy-4-[2-(5-nitro-2-pyridinyl)diazenyl]phenyl]propylamino]-, sodium salt (1:1)s
| Molecular Formula | C17H20N5NaO6S |
| Molecular Weight | 445.1032 g/mol |
| XLogP | 0.2665 |
| Topological Polar Surface Area (TPSA) | 172.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.1032 Da |
| Heavy Atoms | 30 |
| Complexity | 636.0 |
| SMILES | CCCN(CCCS(=O)(=O)[O-])C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)[N+](=O)[O-])O.[Na+] |
| InChIKey | ZLLMYPVFZJLNKV-UHFFFAOYSA-M |
The XLogP value of 0.2665 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitro-paps. The TPSA of 172.0 Ų indicates high polarity, suggesting Nitro-paps may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nitro-paps has 1 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 Nitro-paps is 143205-66-7.
The molecular formula of Nitro-paps is C17H20N5NaO6S.
The molecular weight of Nitro-paps is 445.1032 g/mol.
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