2-硝基丙酸乙酯
TL;DR: 2-硝基丙酸乙酯 (CAS 2531-80-8) is a chemical compound with molecular formula C5H9NO4 and molecular weight 147.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-硝基丙酸乙酯
ethyl 2-nitropropanoate
Also Known As: Ethyl 2-nitropropionate, ethyl 2-nitropropanoate, Propanoic acid, 2-nitro-, ethyl ester, Ethyl alpha-nitropropionate, Ethyl a-nitropropionate
| Molecular Formula | C5H9NO4 |
|---|---|
| Molecular Weight | 147.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 147.05316 |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 2531-80-8 |
|---|---|
| SMILES | CCOC(=O)C(C)[N+](=O)[O-] |
| InChIKey | ZXBGJDZWJJFFQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-硝基丙酸乙酯 (CAS 2531-80-8), with molecular formula C5H9NO4 and molecular weight 147.05 g/mol. IUPAC: ethyl 2-nitropropanoate.
Chemical Property Profile of 2-硝基丙酸乙酯
Property Insights of 2-硝基丙酸乙酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-硝基丙酸乙酯. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-硝基丙酸乙酯. Following Lipinski's Rule of Five, 2-硝基丙酸乙酯 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 2-硝基丙酸乙酯?
The CAS number of 2-硝基丙酸乙酯 is 2531-80-8.
What is the molecular formula of 2-硝基丙酸乙酯?
The molecular formula of 2-硝基丙酸乙酯 is C5H9NO4.
What is the molecular weight of 2-硝基丙酸乙酯?
The molecular weight of 2-硝基丙酸乙酯 is 147.05 g/mol.
Where can I buy 2-硝基丙酸乙酯?
You can request a quote for 2-硝基丙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-硝基丙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-硝基丙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.