Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate
TL;DR: Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate (CAS 85443-52-3) is a chemical compound with molecular formula C14H19N3O4 and molecular weight 293.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-nitroanilino)piperidine-1-carboxylate
Also Known As: Domperidone Impurity 11, Domperidone Impurity 12, Domperidone Impurity 13, Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate, ethyl 4-(2-nitroanilino)piperidine-1-carboxylate
| Molecular Formula | C14H19N3O4 |
|---|---|
| Molecular Weight | 293.14 g/mol |
| LogP | 2.6276 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.13754 |
| Heavy Atoms | 21 |
| Complexity | 512.6955 |
Chemical Identifiers
| CAS Number | 85443-52-3 |
|---|---|
| SMILES | CCOC(=O)N1CCC(CC1)NC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate (CAS 85443-52-3), with molecular formula C14H19N3O4 and molecular weight 293.14 g/mol. IUPAC: ethyl 4-(2-nitroanilino)piperidine-1-carboxylate.
Chemical Property Profile of Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate
Property Insights of Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate
The XLogP value of 2.6276 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate 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-((2-nitrophenyl)amino)piperidine-1-carboxylate?
The CAS number of Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate is 85443-52-3.
What is the molecular formula of Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate?
The molecular formula of Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate is C14H19N3O4.
What is the molecular weight of Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate?
The molecular weight of Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate is 293.14 g/mol.
Where can I buy Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate?
You can request a quote for Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((2-nitrophenyl)amino)piperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.