Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate
TL;DR: Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate (CAS 22316-45-6) is a chemical compound with molecular formula C17H15ClN2O5 and molecular weight 362.06696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(N-(5-chloro-2-nitrophenyl)anilino)-3-oxopropanoate
Also Known As: 5'-Chloro-2'-nitro-N-phenyl-malonanilic Acid Ethyl Ester, Ethyl 3-((5-chloro-2-nitrophenyl)phenylamino)-3-oxopropionate, Ethyl3-[phenylamino]-3-oxopropionate, ethyl3-[ phenylamino]-3-oxopropionate, Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H15ClN2O5 |
| Molecular Weight | 362.06696 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.06696 Da |
| Heavy Atoms | 25 |
| Complexity | 490.0 |
| SMILES | CCOC(=O)CC(=O)N(C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)[N+](=O)[O-] |
| InChIKey | ZRYOWWCGEBQSKY-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate
Property Insights of Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate
The XLogP value of 3.7 indicates that Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate. Following Lipinski's Rule of Five, Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate?
The CAS number of Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate is 22316-45-6.
What is the molecular formula of Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate?
The molecular formula of Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate is C17H15ClN2O5.
What is the molecular weight of Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate?
The molecular weight of Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate is 362.06696 g/mol.
Where can I buy Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate?
You can request a quote for Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate?
Yes, CoreyChem provides custom synthesis services for Ethyl 5'-chloro-2'-nitro-N-phenylmalonanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.