![Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate structure](/static/products/3390/339016-54-5.webp)
Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate
TL;DR: Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate (CAS 339016-54-5) is a chemical compound with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate
Also Known As: ethyl 4-[2-(2-nitroethyl)benzamido]benzoate, ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate, ethyl4-[2-(2-nitroethyl)benzamido]benzoate, Ethyl 4-((2-(2-nitroethyl)benzoyl)amino)benzenecarboxylate, ethyl 4-{[2-(2-nitroethyl)benzoyl]amino}benzenecarboxylate
| Molecular Formula | C18H18N2O5 |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 2.9348 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 342.12158 |
| Heavy Atoms | 25 |
| Complexity | 771.29083 |
Chemical Identifiers
| CAS Number | 339016-54-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2CC[N+](=O)[O-] |
Product Overview
Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate (CAS 339016-54-5), with molecular formula C18H18N2O5 and molecular weight 342.12 g/mol. IUPAC: ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate
Property Insights of Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate
The XLogP value of 2.9348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate 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 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate?
The CAS number of Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate is 339016-54-5.
What is the molecular formula of Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate?
The molecular formula of Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate is C18H18N2O5.
What is the molecular weight of Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate?
The molecular weight of Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate is 342.12 g/mol.
Where can I buy Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate?
You can request a quote for Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[2-(2-nitroethyl)benzoyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.