(E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester
TL;DR: (E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester (CAS 76674-93-6) is a chemical compound with molecular formula C9H15NO4 and molecular weight 201.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2E)-2-methoxyimino-3-oxobutanoate
Also Known As: 2-Methoxyimino-3-oxobutyricacidtert-butylester, J1.031.597B, tert-butyl (2E)-2-methoxyimino-3-oxobutanoate, 2-Methoxyimino-3-oxobutyric acid tert-butyl ester, tert-butyl (2E)-2-(methoxyimino)-3-oxobutanoate
| Molecular Formula | C9H15NO4 |
|---|---|
| Molecular Weight | 201.10 g/mol |
| LogP | 0.9195 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.10011 |
| Heavy Atoms | 14 |
| Complexity | 262.47574 |
Chemical Identifiers
| CAS Number | 76674-93-6 |
|---|---|
| SMILES | CC(=O)/C(=N\OC)/C(=O)OC(C)(C)C |
Product Overview
(E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester (CAS 76674-93-6), with molecular formula C9H15NO4 and molecular weight 201.10 g/mol. IUPAC: tert-butyl (2E)-2-methoxyimino-3-oxobutanoate.
Chemical Property Profile of (E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester
Property Insights of (E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester
The XLogP value of 0.9195 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester. Following Lipinski's Rule of Five, (E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester has 0 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 (E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester?
The CAS number of (E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester is 76674-93-6.
What is the molecular formula of (E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester?
The molecular formula of (E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester is C9H15NO4.
What is the molecular weight of (E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester?
The molecular weight of (E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester is 201.10 g/mol.
Where can I buy (E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester?
You can request a quote for (E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-Methoxyimino-2-oxobutyric acid, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.