Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate)
TL;DR: Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate) (CAS 429-76-5) is a chemical compound with molecular formula C11H13NO5 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxyethyl 4-nitrobenzoate
Also Known As: 2-Ethoxyethyl 4-nitrobenzoate, 2-ethoxyethyl4-nitrobenzoate, Ethanol, 2-ethoxy-, 4-nitrobenzoate, Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate), 4-Nitrobenzoic acid, 2-ethoxyethyl ester
| Molecular Formula | C11H13NO5 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.07938 |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 429-76-5 |
|---|---|
| SMILES | CCOCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | JVKUSNIMTZCOMW-UHFFFAOYSA-N |
Product Overview
Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate) (CAS 429-76-5), with molecular formula C11H13NO5 and molecular weight 239.08 g/mol. IUPAC: 2-ethoxyethyl 4-nitrobenzoate.
Chemical Property Profile of Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate)
Property Insights of Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate). The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate). Following Lipinski's Rule of Five, Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate) 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 Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate)?
The CAS number of Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate) is 429-76-5.
What is the molecular formula of Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate)?
The molecular formula of Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate) is C11H13NO5.
What is the molecular weight of Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate)?
The molecular weight of Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate) is 239.08 g/mol.
Where can I buy Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate)?
You can request a quote for Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate)?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2-ethoxy-, 1-(4-nitrobenzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.