Ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate (CAS 385407-89-6) is a chemical compound with molecular formula C13H16ClN3O3 and molecular weight 297.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate
Also Known As: ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate, ethyl 4-(6-chloronicotinoyl)piperazine-1-carboxylate, ethyl 4-[(6-chloro-3-pyridyl)carbonyl]piperazinecarboxylate
| Molecular Formula | C13H16ClN3O3 |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | 1.6493 |
| Topological Polar Surface Area | 62.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.088 |
| Heavy Atoms | 20 |
| Complexity | 484.13968 |
Chemical Identifiers
| CAS Number | 385407-89-6 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=CN=C(C=C2)Cl |
Product Overview
Ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate (CAS 385407-89-6), with molecular formula C13H16ClN3O3 and molecular weight 297.09 g/mol. IUPAC: ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate
The XLogP value of 1.6493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate. The TPSA of 62.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 4 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-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate is 385407-89-6.
What is the molecular formula of Ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate is C13H16ClN3O3.
What is the molecular weight of Ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate is 297.09 g/mol.
Where can I buy Ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-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-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(6-chloropyridine-3-carbonyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.