Ethyl 3-hydroxy-2-nitropropanoate
TL;DR: Ethyl 3-hydroxy-2-nitropropanoate (CAS 96040-01-6) is a chemical compound with molecular formula C5H9NO5 and molecular weight 163.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxy-2-nitropropanoate
Also Known As: Ethyl 3-hydroxy-2-nitropropanoate, Ethyl 2-nitro-3-hydroxypropanoate, Ethyl 3-hydroxy-2-nitropropanoate #, 2-Nitro-3-hydroxypropanoic acid ethyl ester, 3-hydroxy-2-nitro-propionic acid ethyl ester
| Molecular Formula | C5H9NO5 |
|---|---|
| Molecular Weight | 163.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 163.04807 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 96040-01-6 |
|---|---|
| SMILES | CCOC(=O)C(CO)[N+](=O)[O-] |
| InChIKey | AEHCSFZIVXFNOM-UHFFFAOYSA-N |
Product Overview
Ethyl 3-hydroxy-2-nitropropanoate (CAS 96040-01-6), with molecular formula C5H9NO5 and molecular weight 163.05 g/mol. IUPAC: ethyl 3-hydroxy-2-nitropropanoate.
Chemical Property Profile of Ethyl 3-hydroxy-2-nitropropanoate
Property Insights of Ethyl 3-hydroxy-2-nitropropanoate
The XLogP value of -0.2 indicates that Ethyl 3-hydroxy-2-nitropropanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-hydroxy-2-nitropropanoate. Following Lipinski's Rule of Five, Ethyl 3-hydroxy-2-nitropropanoate 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 3-hydroxy-2-nitropropanoate?
The CAS number of Ethyl 3-hydroxy-2-nitropropanoate is 96040-01-6.
What is the molecular formula of Ethyl 3-hydroxy-2-nitropropanoate?
The molecular formula of Ethyl 3-hydroxy-2-nitropropanoate is C5H9NO5.
What is the molecular weight of Ethyl 3-hydroxy-2-nitropropanoate?
The molecular weight of Ethyl 3-hydroxy-2-nitropropanoate is 163.05 g/mol.
Where can I buy Ethyl 3-hydroxy-2-nitropropanoate?
You can request a quote for Ethyl 3-hydroxy-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 3-hydroxy-2-nitropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxy-2-nitropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.