Ethyl {4-chloro-3-nitroanilino}(oxo)acetate
TL;DR: Ethyl {4-chloro-3-nitroanilino}(oxo)acetate (CAS 209959-79-5) is a chemical compound with molecular formula C10H9ClN2O5 and molecular weight 272.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
Also Known As: ethyl {4-chloro-3-nitroanilino}(oxo)acetate, ethyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate, BAS 01935675, ethyl [(4-chloro-3-nitrophenyl)amino](oxo)acetate, J1.877.003B
| Molecular Formula | C10H9ClN2O5 |
|---|---|
| Molecular Weight | 272.02 g/mol |
| LogP | 1.7498 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.02 |
| Heavy Atoms | 18 |
| Complexity | 503.04144 |
Chemical Identifiers
| CAS Number | 209959-79-5 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
Product Overview
Ethyl {4-chloro-3-nitroanilino}(oxo)acetate (CAS 209959-79-5), with molecular formula C10H9ClN2O5 and molecular weight 272.02 g/mol. IUPAC: ethyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate.
Chemical Property Profile of Ethyl {4-chloro-3-nitroanilino}(oxo)acetate
Property Insights of Ethyl {4-chloro-3-nitroanilino}(oxo)acetate
The XLogP value of 1.7498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl {4-chloro-3-nitroanilino}(oxo)acetate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl {4-chloro-3-nitroanilino}(oxo)acetate. Following Lipinski's Rule of Five, Ethyl {4-chloro-3-nitroanilino}(oxo)acetate 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-chloro-3-nitroanilino}(oxo)acetate?
The CAS number of Ethyl {4-chloro-3-nitroanilino}(oxo)acetate is 209959-79-5.
What is the molecular formula of Ethyl {4-chloro-3-nitroanilino}(oxo)acetate?
The molecular formula of Ethyl {4-chloro-3-nitroanilino}(oxo)acetate is C10H9ClN2O5.
What is the molecular weight of Ethyl {4-chloro-3-nitroanilino}(oxo)acetate?
The molecular weight of Ethyl {4-chloro-3-nitroanilino}(oxo)acetate is 272.02 g/mol.
Where can I buy Ethyl {4-chloro-3-nitroanilino}(oxo)acetate?
You can request a quote for Ethyl {4-chloro-3-nitroanilino}(oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl {4-chloro-3-nitroanilino}(oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl {4-chloro-3-nitroanilino}(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.