4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol
TL;DR: 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol (CAS 85352-99-4) is a chemical compound with molecular formula C10H15N3O3 and molecular weight 225.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-hydroxy-4-(1-oxidopyridin-1-ium-3-yl)butyl]-N-methylnitrous amide
Also Known As: NNAL-N-oxide, 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol, N-Nitroso-Cotinine Impurity 4, 4- -1- -1-BUTANOL, N-[4-hydroxy-4-(1-oxidopyridin-1-ium-3-yl)butyl]-N-methylnitrous amide
| Molecular Formula | C10H15N3O3 |
|---|---|
| Molecular Weight | 225.11 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.11134 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 85352-99-4 |
|---|---|
| SMILES | CN(CCCC(C1=C[N+](=CC=C1)[O-])O)N=O |
| InChIKey | DKBKTKUNVONEGX-UHFFFAOYSA-N |
Product Overview
4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol (CAS 85352-99-4), with molecular formula C10H15N3O3 and molecular weight 225.11 g/mol. IUPAC: N-[4-hydroxy-4-(1-oxidopyridin-1-ium-3-yl)butyl]-N-methylnitrous amide.
Chemical Property Profile of 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol
Property Insights of 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol
The XLogP value of -0.3 indicates that 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol. Following Lipinski's Rule of Five, 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol?
The CAS number of 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol is 85352-99-4.
What is the molecular formula of 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol?
The molecular formula of 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol is C10H15N3O3.
What is the molecular weight of 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol?
The molecular weight of 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol is 225.11 g/mol.
Where can I buy 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol?
You can request a quote for 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylnitrosamino)-1-(3-pyridyl-N-oxide)-1-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.