(2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile
TL;DR: (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile (CAS 950847-04-8) is a chemical compound with molecular formula C7H10N2O2 and molecular weight 154.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-hydroxyimino-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 3,3-dimethyl-2-oxobutanecarbonimidoyl cyanide, J1.204.690A, (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile, 2-(Hydroxyimino)-3-oxo-4,4-dimethylpentanenitrile, 2-(hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile
| Molecular Formula | C7H10N2O2 |
|---|---|
| Molecular Weight | 154.07 g/mol |
| LogP | 0.95538 |
| Topological Polar Surface Area | 73.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.07423 |
| Heavy Atoms | 11 |
| Complexity | 229.80557 |
Chemical Identifiers
| CAS Number | 950847-04-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)/C(=N/O)/C#N |
Product Overview
(2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile (CAS 950847-04-8), with molecular formula C7H10N2O2 and molecular weight 154.07 g/mol. IUPAC: (2E)-2-hydroxyimino-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile
Property Insights of (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile
The XLogP value of 0.95538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile. The TPSA of 73.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile. Following Lipinski's Rule of Five, (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile 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 (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile?
The CAS number of (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile is 950847-04-8.
What is the molecular formula of (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile?
The molecular formula of (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile is C7H10N2O2.
What is the molecular weight of (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile?
The molecular weight of (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile is 154.07 g/mol.
Where can I buy (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile?
You can request a quote for (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(Hydroxyimino)-4,4-dimethyl-3-oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.