Ethyl 4-acetamido-3-nitrobenzoate
TL;DR: Ethyl 4-acetamido-3-nitrobenzoate (CAS 175204-17-8) is a chemical compound with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-acetamido-3-nitrobenzoate
Also Known As: ethyl 4-acetamido-3-nitrobenzoate, ethyl 4-(acetylamino)-3-nitrobenzoate, ethyl 4-acetamido-3-nitro-benzoate, Ethyl-4-acetamido-3-Nitrobenzoate, ethyl 4-acetylamino-3-nitrobenzoate
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 1.7299 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 498.20697 |
Chemical Identifiers
| CAS Number | 175204-17-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)NC(=O)C)[N+](=O)[O-] |
Product Overview
Ethyl 4-acetamido-3-nitrobenzoate (CAS 175204-17-8), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: ethyl 4-acetamido-3-nitrobenzoate.
Chemical Property Profile of Ethyl 4-acetamido-3-nitrobenzoate
Property Insights of Ethyl 4-acetamido-3-nitrobenzoate
The XLogP value of 1.7299 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-acetamido-3-nitrobenzoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-acetamido-3-nitrobenzoate. Following Lipinski's Rule of Five, Ethyl 4-acetamido-3-nitrobenzoate 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-acetamido-3-nitrobenzoate?
The CAS number of Ethyl 4-acetamido-3-nitrobenzoate is 175204-17-8.
What is the molecular formula of Ethyl 4-acetamido-3-nitrobenzoate?
The molecular formula of Ethyl 4-acetamido-3-nitrobenzoate is C11H12N2O5.
What is the molecular weight of Ethyl 4-acetamido-3-nitrobenzoate?
The molecular weight of Ethyl 4-acetamido-3-nitrobenzoate is 252.07 g/mol.
Where can I buy Ethyl 4-acetamido-3-nitrobenzoate?
You can request a quote for Ethyl 4-acetamido-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-acetamido-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-acetamido-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.