1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane
TL;DR: 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane (CAS 126218-45-9) is a chemical compound with molecular formula C9H14ClN3O3S2 and molecular weight 311.0165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-[4-[(3-nitro-2-pyridinyl)disulfanyl]butyl]hydroxylamine;hydrochloride
Also Known As: 1-Anpdb, tert-butyl N-piperidin-1-ylcarbamate, 2-((4-(Aminooxy)butyl)dithio)-3-nitropyridine monohydrochloride, 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane, O-[4-[(3-nitropyridin-2-yl)disulfanyl]butyl]hydroxylamine
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H14ClN3O3S2 |
| Molecular Weight | 311.0165 g/mol |
| XLogP | 2.8224 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 311.0165 Da |
| Heavy Atoms | 18 |
| Complexity | 228.0 |
| SMILES | C1=CC(=C(N=C1)SSCCCCON)[N+](=O)[O-].Cl |
| InChIKey | ZAWBYEZTDOXVRM-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane
Property Insights of 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane
The XLogP value of 2.8224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane. The TPSA of 145.0 Ų indicates high polarity, suggesting 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane?
The CAS number of 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane is 126218-45-9.
What is the molecular formula of 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane?
The molecular formula of 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane is C9H14ClN3O3S2.
What is the molecular weight of 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane?
The molecular weight of 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane is 311.0165 g/mol.
Where can I buy 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane?
You can request a quote for 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane?
Yes, CoreyChem provides custom synthesis services for 1-(Aminooxy)-4-((3-nitro-2-pyridyl)dithio)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.