1-(3-Chlorobenzoyl)-4-isonicotinoylpiperazine
TL;DR: 1-(3-Chlorobenzoyl)-4-isonicotinoylpiperazine (CAS 333756-31-3) is a chemical compound with molecular formula C17H16ClN3O2 and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-chlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
Also Known As: 1-(3-chlorobenzoyl)-4-isonicotinoylpiperazine, BIM-0039267.P001, [4-(3-chlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone, AT-057/43314029, 3-chlorophenyl 4-(4-pyridylcarbonyl)piperazinyl ketone
| Molecular Formula | C17H16ClN3O2 |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.0931 |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 333756-31-3 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C2=CC=NC=C2)C(=O)C3=CC(=CC=C3)Cl |
| InChIKey | MNULTDIUBIYADS-UHFFFAOYSA-N |
Product Overview
1-(3-Chlorobenzoyl)-4-isonicotinoylpiperazine (CAS 333756-31-3), with molecular formula C17H16ClN3O2 and molecular weight 329.09 g/mol. IUPAC: [4-(3-chlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone.
Chemical Property Profile of 1-(3-Chlorobenzoyl)-4-isonicotinoylpiperazine
Property Insights of 1-(3-Chlorobenzoyl)-4-isonicotinoylpiperazine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Chlorobenzoyl)-4-isonicotinoylpiperazine. With a topological polar surface area (TPSA) of 53.5 Ų, 1-(3-Chlorobenzoyl)-4-isonicotinoylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Chlorobenzoyl)-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-(3-Chlorobenzoyl)-4-isonicotinoylpiperazine?
The CAS number of 1-(3-Chlorobenzoyl)-4-isonicotinoylpiperazine is 333756-31-3.
What is the molecular formula of 1-(3-Chlorobenzoyl)-4-isonicotinoylpiperazine?
The molecular formula of 1-(3-Chlorobenzoyl)-4-isonicotinoylpiperazine is C17H16ClN3O2.
What is the molecular weight of 1-(3-Chlorobenzoyl)-4-isonicotinoylpiperazine?
The molecular weight of 1-(3-Chlorobenzoyl)-4-isonicotinoylpiperazine is 329.09 g/mol.
Where can I buy 1-(3-Chlorobenzoyl)-4-isonicotinoylpiperazine?
You can request a quote for 1-(3-Chlorobenzoyl)-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-(3-Chlorobenzoyl)-4-isonicotinoylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Chlorobenzoyl)-4-isonicotinoylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.