(3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one
TL;DR: (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one (CAS 2840-05-3) 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.
(3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one
Also Known As: Isonitrozine, 1-(Dimethylamino)-2-hydroxyimino-3-butanone, (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one, (E)-4-(dimethylamino)-3-(hydroxyimino)butan-2-one
| Molecular Formula | C6H12N2O2 |
|---|---|
| Molecular Weight | 144.09 g/mol |
| LogP | -0.0328 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.08987 |
| Heavy Atoms | 10 |
| Complexity | 151.82681 |
Chemical Identifiers
| CAS Number | 2840-05-3 |
|---|---|
| SMILES | CC(=O)/C(=N/O)/CN(C)C |
Product Overview
(3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one (CAS 2840-05-3), with molecular formula C6H12N2O2 and molecular weight 144.09 g/mol. IUPAC: (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one.
Chemical Property Profile of (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one
Property Insights of (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one
The XLogP value of -0.0328 indicates that (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.9 Ų, (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one has 1 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 (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one?
The CAS number of (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one is 2840-05-3.
What is the molecular formula of (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one?
The molecular formula of (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one is C6H12N2O2.
What is the molecular weight of (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one?
The molecular weight of (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one is 144.09 g/mol.
Where can I buy (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one?
You can request a quote for (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-4-(dimethylamino)-3-hydroxyiminobutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.