Ethyl 2-methyl-2-nitropropanoate
TL;DR: Ethyl 2-methyl-2-nitropropanoate (CAS 59233-38-4) is a chemical compound with molecular formula C6H11NO4 and molecular weight 161.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-2-nitropropanoate
Also Known As: ethyl 2-methyl-2-nitropropanoate, Ethyl a-nitroisobutyrate, 2-methyl-2-nitro-propionic acid ethyl ester, 2-Methyl-2-nitropropanoic acid ethyl ester, Propanoic acid, 2-methyl-2-nitro-, ethyl ester
| Molecular Formula | C6H11NO4 |
|---|---|
| Molecular Weight | 161.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.0688 |
| Heavy Atoms | 11 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 59233-38-4 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)[N+](=O)[O-] |
| InChIKey | OZMLDSDNKWEGMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-methyl-2-nitropropanoate (CAS 59233-38-4), with molecular formula C6H11NO4 and molecular weight 161.07 g/mol. IUPAC: ethyl 2-methyl-2-nitropropanoate.
Chemical Property Profile of Ethyl 2-methyl-2-nitropropanoate
Property Insights of Ethyl 2-methyl-2-nitropropanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-2-nitropropanoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methyl-2-nitropropanoate. Following Lipinski's Rule of Five, Ethyl 2-methyl-2-nitropropanoate has 0 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 Ethyl 2-methyl-2-nitropropanoate?
The CAS number of Ethyl 2-methyl-2-nitropropanoate is 59233-38-4.
What is the molecular formula of Ethyl 2-methyl-2-nitropropanoate?
The molecular formula of Ethyl 2-methyl-2-nitropropanoate is C6H11NO4.
What is the molecular weight of Ethyl 2-methyl-2-nitropropanoate?
The molecular weight of Ethyl 2-methyl-2-nitropropanoate is 161.07 g/mol.
Where can I buy Ethyl 2-methyl-2-nitropropanoate?
You can request a quote for Ethyl 2-methyl-2-nitropropanoate 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-2-nitropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-2-nitropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.