1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine
TL;DR: 1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine (CAS 39640-10-3) is a chemical compound with molecular formula C17H18ClN3O and molecular weight 315.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
Also Known As: 1-(4-chlorobenzyl)-4-isonicotinoylpiperazine, [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone, 4-[(4-chlorophenyl)methyl]piperazinyl 4-pyridyl ketone, [4-(4-chlorobenzyl)piperazin-1-yl](pyridin-4-yl)methanone, [4-(4-CHLOROBENZYL)PIPERAZINO](4-PYRIDYL)METHANONE
| Molecular Formula | C17H18ClN3O |
|---|---|
| Molecular Weight | 315.11 g/mol |
| LogP | 2.693 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.11383 |
| Heavy Atoms | 22 |
| Complexity | 622.1121 |
Chemical Identifiers
| CAS Number | 39640-10-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)C3=CC=NC=C3 |
Product Overview
1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine (CAS 39640-10-3), with molecular formula C17H18ClN3O and molecular weight 315.11 g/mol. IUPAC: [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone.
Chemical Property Profile of 1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine
Property Insights of 1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine
The XLogP value of 2.693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine. With a topological polar surface area (TPSA) of 36.44 Ų, 1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine 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-(4-Chlorobenzyl)-4-isonicotinoylpiperazine?
The CAS number of 1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine is 39640-10-3.
What is the molecular formula of 1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine?
The molecular formula of 1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine is C17H18ClN3O.
What is the molecular weight of 1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine?
The molecular weight of 1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine is 315.11 g/mol.
Where can I buy 1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine?
You can request a quote for 1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobenzyl)-4-isonicotinoylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.