Ethyl 3-anilino-2-nitro-3-oxopropanoate
TL;DR: Ethyl 3-anilino-2-nitro-3-oxopropanoate (CAS 162089-95-4) 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 3-anilino-2-nitro-3-oxopropanoate
Also Known As: ethyl 3-anilino-2-nitro-3-oxopropanoate, alpha-ethoxycarbonyl-alpha-nitroacetanilide, ethyl 2-nitro-2-(phenylcarbamoyl)acetate, J1.457.558H, 2-nitro-2-(phenyl-carbamoyl)-acetic acid ethyl ester
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 0.8335 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 446.00662 |
Chemical Identifiers
| CAS Number | 162089-95-4 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)NC1=CC=CC=C1)[N+](=O)[O-] |
Product Overview
Ethyl 3-anilino-2-nitro-3-oxopropanoate (CAS 162089-95-4), with molecular formula C11H12N2O5 and molecular weight 252.07 g/mol. IUPAC: ethyl 3-anilino-2-nitro-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-anilino-2-nitro-3-oxopropanoate
Property Insights of Ethyl 3-anilino-2-nitro-3-oxopropanoate
The XLogP value of 0.8335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-anilino-2-nitro-3-oxopropanoate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-anilino-2-nitro-3-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-anilino-2-nitro-3-oxopropanoate 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-anilino-2-nitro-3-oxopropanoate?
The CAS number of Ethyl 3-anilino-2-nitro-3-oxopropanoate is 162089-95-4.
What is the molecular formula of Ethyl 3-anilino-2-nitro-3-oxopropanoate?
The molecular formula of Ethyl 3-anilino-2-nitro-3-oxopropanoate is C11H12N2O5.
What is the molecular weight of Ethyl 3-anilino-2-nitro-3-oxopropanoate?
The molecular weight of Ethyl 3-anilino-2-nitro-3-oxopropanoate is 252.07 g/mol.
Where can I buy Ethyl 3-anilino-2-nitro-3-oxopropanoate?
You can request a quote for Ethyl 3-anilino-2-nitro-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-anilino-2-nitro-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-anilino-2-nitro-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.