2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate
TL;DR: 2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate (CAS 753472-33-2) is a chemical compound with molecular formula C18H17Cl2N3O3 and molecular weight 393.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5,6-dichloropyridine-3-carboxylate
Also Known As: 2-oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate, [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5,6-dichloropyridine-3-carboxylate
| Molecular Formula | C18H17Cl2N3O3 |
|---|---|
| Molecular Weight | 393.06 g/mol |
| LogP | 2.894 |
| Topological Polar Surface Area | 62.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.0647 |
| Heavy Atoms | 26 |
| Complexity | 793.52325 |
Chemical Identifiers
| CAS Number | 753472-33-2 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C3=CC(=C(N=C3)Cl)Cl |
Product Overview
2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate (CAS 753472-33-2), with molecular formula C18H17Cl2N3O3 and molecular weight 393.06 g/mol. IUPAC: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5,6-dichloropyridine-3-carboxylate.
Chemical Property Profile of 2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate
Property Insights of 2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate
The XLogP value of 2.894 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate. The TPSA of 62.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate. Following Lipinski's Rule of Five, 2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate 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
Frequently Asked Questions
What is the CAS number of 2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate?
The CAS number of 2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate is 753472-33-2.
What is the molecular formula of 2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate?
The molecular formula of 2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate is C18H17Cl2N3O3.
What is the molecular weight of 2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate?
The molecular weight of 2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate is 393.06 g/mol.
Where can I buy 2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate?
You can request a quote for 2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 5,6-dichloropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.