Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate
TL;DR: Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate (CAS 53786-44-0) is a chemical compound with molecular formula C14H18ClN3O4 and molecular weight 327.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chloro-2-nitroanilino)piperidine-1-carboxylate
Also Known As: Domperidone Impurity 7, Domperidone Impurity 1, Domperidone Impurity 2, Domperidone Impurity 11, Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate
| Molecular Formula | C14H18ClN3O4 |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.09857 |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 53786-44-0 |
|---|---|
| SMILES | CCOC(=O)N1CCC(CC1)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | GMDPPHXPURQLKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate (CAS 53786-44-0), with molecular formula C14H18ClN3O4 and molecular weight 327.10 g/mol. IUPAC: ethyl 4-(4-chloro-2-nitroanilino)piperidine-1-carboxylate.
Chemical Property Profile of Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate
Property Insights of Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate
The XLogP value of 3.7 indicates that Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-((4-chloro-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-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate?
The CAS number of Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate is 53786-44-0.
What is the molecular formula of Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate?
The molecular formula of Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate is C14H18ClN3O4.
What is the molecular weight of Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate?
The molecular weight of Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate is 327.10 g/mol.
Where can I buy Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate?
You can request a quote for Ethyl 4-((4-chloro-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-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((4-chloro-2-nitrophenyl)amino)piperidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.