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Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate
TL;DR: Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate (CAS 63365-47-9) is a chemical compound with molecular formula C11H9N3O5 and molecular weight 263.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-cyano-4-nitroanilino)-2-oxoacetate
Also Known As: ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate, NCI60_011563, ethyl 2-(2-cyano-4-nitroanilino)-2-oxoacetate, ethyl 2-((2-cyano-4-nitrophenyl)amino)-2-oxoacetate, ethyl[(2-cyano-4-nitrophenyl)amino](oxo)acetate
| Molecular Formula | C11H9N3O5 |
|---|---|
| Molecular Weight | 263.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.05423 |
| Heavy Atoms | 19 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 63365-47-9 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N |
| InChIKey | QMVOXDZQHRKIGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate (CAS 63365-47-9), with molecular formula C11H9N3O5 and molecular weight 263.05 g/mol. IUPAC: ethyl 2-(2-cyano-4-nitroanilino)-2-oxoacetate.
Chemical Property Profile of Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate
Property Insights of Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate. Following Lipinski's Rule of Five, Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate has 1 hydrogen bond donor(s) and 6 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-cyano-4-nitrophenyl)carbamoyl]formate?
The CAS number of Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate is 63365-47-9.
What is the molecular formula of Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate?
The molecular formula of Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate is C11H9N3O5.
What is the molecular weight of Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate?
The molecular weight of Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate is 263.05 g/mol.
Where can I buy Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate?
You can request a quote for Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(2-cyano-4-nitrophenyl)carbamoyl]formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.