Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate
TL;DR: Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate (CAS 85559-97-3) is a chemical compound with molecular formula C9H16N2O4 and molecular weight 216.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate
Also Known As: ethyl (3E)-2-methyl-3-(methylcarbamoyloxyimino)butanoate
| Molecular Formula | C9H16N2O4 |
|---|---|
| Molecular Weight | 216.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.11101 |
| Heavy Atoms | 15 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 85559-97-3 |
|---|---|
| SMILES | CCOC(=O)C(C)C(=NOC(=O)NC)C |
| InChIKey | HMTUHAVADRDKEB-UHFFFAOYSA-N |
Product Overview
Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate (CAS 85559-97-3), with molecular formula C9H16N2O4 and molecular weight 216.11 g/mol. IUPAC: ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate.
Chemical Property Profile of Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate
Property Insights of Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate. Following Lipinski's Rule of Five, Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate has 1 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 Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate?
The CAS number of Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate is 85559-97-3.
What is the molecular formula of Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate?
The molecular formula of Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate is C9H16N2O4.
What is the molecular weight of Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate?
The molecular weight of Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate is 216.11 g/mol.
Where can I buy Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate?
You can request a quote for Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-3-(methylcarbamoyloxyimino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.