2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone
TL;DR: 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone (CAS 64091-89-0) is a chemical compound with molecular formula C10H12N4O3 and molecular weight 236.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3E)-3-hydroxyimino-4-oxo-4-pyridin-3-ylbutyl]-N-methylnitrous amide
Also Known As: 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone, 4-(Methylnitrosoamino)-1-(3-pyridinyl)-1,2-butanedione 2-Oxime, N-(3-hydroxyimino-4-oxo-4-pyridin-3-yl-butyl)-N-methyl-nitrous Amide, (2E)-2-(Hydroxyimino)-4-[methyl(nitroso)amino]-1-(3-pyridinyl)-1- butanone
| Molecular Formula | C10H12N4O3 |
|---|---|
| Molecular Weight | 236.09 g/mol |
| LogP | 1.0978 |
| Topological Polar Surface Area | 95.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.09094 |
| Heavy Atoms | 17 |
| Complexity | 418.819 |
Chemical Identifiers
| CAS Number | 64091-89-0 |
|---|---|
| SMILES | CN(CC/C(=N\O)/C(=O)C1=CN=CC=C1)N=O |
Product Overview
2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone (CAS 64091-89-0), with molecular formula C10H12N4O3 and molecular weight 236.09 g/mol. IUPAC: N-[(3E)-3-hydroxyimino-4-oxo-4-pyridin-3-ylbutyl]-N-methylnitrous amide.
Chemical Property Profile of 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone
Property Insights of 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone
The XLogP value of 1.0978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone. The TPSA of 95.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone. Following Lipinski's Rule of Five, 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone has 1 hydrogen bond donor(s) and 6 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 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone?
The CAS number of 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone is 64091-89-0.
What is the molecular formula of 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone?
The molecular formula of 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone is C10H12N4O3.
What is the molecular weight of 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone?
The molecular weight of 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone is 236.09 g/mol.
Where can I buy 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone?
You can request a quote for 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.