1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine
TL;DR: 1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine (CAS 728898-27-9) is a chemical compound with molecular formula C16H15ClFN3O and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
Also Known As: 1-(6-chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine, (6-chloropyridin-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
| Molecular Formula | C16H15ClFN3O |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.8365 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.08878 |
| Heavy Atoms | 22 |
| Complexity | 652.09607 |
Chemical Identifiers
| CAS Number | 728898-27-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CN=C(C=C3)Cl |
Product Overview
1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine (CAS 728898-27-9), with molecular formula C16H15ClFN3O and molecular weight 319.09 g/mol. IUPAC: (6-chloro-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
Chemical Property Profile of 1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine
Property Insights of 1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine
The XLogP value of 2.8365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine. With a topological polar surface area (TPSA) of 36.44 Ų, 1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine has 0 hydrogen bond donor(s) and 3 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 1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine?
The CAS number of 1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine is 728898-27-9.
What is the molecular formula of 1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine?
The molecular formula of 1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine is C16H15ClFN3O.
What is the molecular weight of 1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine?
The molecular weight of 1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine is 319.09 g/mol.
Where can I buy 1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine?
You can request a quote for 1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Chloropyridine-3-carbonyl)-4-(4-fluorophenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.