Ethyl 2-(3-nitroanilino)-2-oxoacetate
TL;DR: Ethyl 2-(3-nitroanilino)-2-oxoacetate (CAS 7501-69-1) is a chemical compound with molecular formula C10H10N2O5 and molecular weight 238.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-nitroanilino)-2-oxoacetate
Also Known As: ethyl 3'-nitrooxanilate, ethyl 3-nitro-oxanilate, ethyl [(3-nitrophenyl)carbamoyl]formate, ethyl 2-(3-nitroanilino)-2-oxoacetate, Ethyl (3-nitroanilino)(oxo)acetate
| Molecular Formula | C10H10N2O5 |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.05898 |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 7501-69-1 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | IOAWBDJZTBCMCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(3-nitroanilino)-2-oxoacetate (CAS 7501-69-1), with molecular formula C10H10N2O5 and molecular weight 238.06 g/mol. IUPAC: ethyl 2-(3-nitroanilino)-2-oxoacetate.
Chemical Property Profile of Ethyl 2-(3-nitroanilino)-2-oxoacetate
Property Insights of Ethyl 2-(3-nitroanilino)-2-oxoacetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-nitroanilino)-2-oxoacetate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-nitroanilino)-2-oxoacetate. Following Lipinski's Rule of Five, Ethyl 2-(3-nitroanilino)-2-oxoacetate 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 2-(3-nitroanilino)-2-oxoacetate?
The CAS number of Ethyl 2-(3-nitroanilino)-2-oxoacetate is 7501-69-1.
What is the molecular formula of Ethyl 2-(3-nitroanilino)-2-oxoacetate?
The molecular formula of Ethyl 2-(3-nitroanilino)-2-oxoacetate is C10H10N2O5.
What is the molecular weight of Ethyl 2-(3-nitroanilino)-2-oxoacetate?
The molecular weight of Ethyl 2-(3-nitroanilino)-2-oxoacetate is 238.06 g/mol.
Where can I buy Ethyl 2-(3-nitroanilino)-2-oxoacetate?
You can request a quote for Ethyl 2-(3-nitroanilino)-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-nitroanilino)-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-nitroanilino)-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.