Acetonylacetone dioxime
TL;DR: Acetonylacetone dioxime (CAS 112899-84-0) is a chemical compound with molecular formula C6H12N2O2 and molecular weight 144.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[(5E)-5-hydroxyiminohexan-2-ylidene]hydroxylamine
Also Known As: Acetonylacetone dioxime, 2,5-hexanedione dioxime, 2,5-hexanedione bisoxime, n,n'-dihydroxyhexane-2,5-diimine, (2E,5E)-2,5-Hexanedione dioxime
| Molecular Formula | C6H12N2O2 |
|---|---|
| Molecular Weight | 144.09 g/mol |
| LogP | 1.4668 |
| Topological Polar Surface Area | 65.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.08987 |
| Heavy Atoms | 10 |
| Complexity | 133.82681 |
Chemical Identifiers
| CAS Number | 112899-84-0 |
|---|---|
| SMILES | C/C(=N\O)/CC/C(=N/O)/C |
Product Overview
Acetonylacetone dioxime (CAS 112899-84-0), with molecular formula C6H12N2O2 and molecular weight 144.09 g/mol. IUPAC: (NE)-N-[(5E)-5-hydroxyiminohexan-2-ylidene]hydroxylamine.
Chemical Property Profile of Acetonylacetone dioxime
Property Insights of Acetonylacetone dioxime
The XLogP value of 1.4668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonylacetone dioxime. The TPSA of 65.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetonylacetone dioxime. Following Lipinski's Rule of Five, Acetonylacetone dioxime has 2 hydrogen bond donor(s) and 4 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 Acetonylacetone dioxime?
The CAS number of Acetonylacetone dioxime is 112899-84-0.
What is the molecular formula of Acetonylacetone dioxime?
The molecular formula of Acetonylacetone dioxime is C6H12N2O2.
What is the molecular weight of Acetonylacetone dioxime?
The molecular weight of Acetonylacetone dioxime is 144.09 g/mol.
Where can I buy Acetonylacetone dioxime?
You can request a quote for Acetonylacetone dioxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonylacetone dioxime?
Yes, KEHONG BIO provides custom synthesis services for Acetonylacetone dioxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.