![[2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate structure](/static/products/4385/438594-17-3.webp)
[2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate
TL;DR: [2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate (CAS 438594-17-3) is a chemical compound with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitroanilino)-2-oxoethyl] 2-ethylbutanoate
Also Known As: [2-(3-nitroanilino)-2-oxoethyl] 2-ethylbutanoate|2-(3-Nitroanilino)-2-oxoethyl 2-ethylbutanoate|MLS001004318|SMR000347875
| Molecular Formula | C14H18N2O5 |
|---|---|
| Molecular Weight | 294.12 g/mol |
| LogP | 2.5127 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 294.12158 |
| Heavy Atoms | 21 |
| Complexity | 525.8506 |
Chemical Identifiers
| CAS Number | 438594-17-3 |
|---|---|
| SMILES | CCC(CC)C(=O)OCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
[2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate (CAS 438594-17-3), with molecular formula C14H18N2O5 and molecular weight 294.12 g/mol. IUPAC: [2-(3-nitroanilino)-2-oxoethyl] 2-ethylbutanoate.
Chemical Property Profile of [2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate
Property Insights of [2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate
The XLogP value of 2.5127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate. Following Lipinski's Rule of Five, [2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate 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 [2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate?
The CAS number of [2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate is 438594-17-3.
What is the molecular formula of [2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate?
The molecular formula of [2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate is C14H18N2O5.
What is the molecular weight of [2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate?
The molecular weight of [2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate is 294.12 g/mol.
Where can I buy [2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate?
You can request a quote for [2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for [2-(3-Nitroanilino)-2-oxoethyl] 2-ethylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.