![2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile structure](/static/products/345/345257-22-9.png)
2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile
TL;DR: 2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CAS 345257-22-9) is a chemical compound with molecular formula C17H13Cl3N4O and molecular weight 394.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-benzoylpiperazin-1-yl)-2,4,5-trichloropyridine-3-carbonitrile
Also Known As: BAS 00538940, A0168/0007546, 2,4,5-trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile, 6-(4-benzoyl-1-piperazinyl)-2,4,5-trichloronicotinonitrile, 6-(4-Benzoyl-piperazin-1-yl)-2,4,5-trichloro-nicotinonitrile
| Molecular Formula | C17H13Cl3N4O |
|---|---|
| Molecular Weight | 394.02 g/mol |
| LogP | 3.87588 |
| Topological Polar Surface Area | 60.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.0155 |
| Heavy Atoms | 25 |
| Complexity | 843.20685 |
Chemical Identifiers
| CAS Number | 345257-22-9 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C(=C(C(=N2)Cl)C#N)Cl)Cl)C(=O)C3=CC=CC=C3 |
Product Overview
2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CAS 345257-22-9), with molecular formula C17H13Cl3N4O and molecular weight 394.02 g/mol. IUPAC: 6-(4-benzoylpiperazin-1-yl)-2,4,5-trichloropyridine-3-carbonitrile.
Chemical Property Profile of 2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile
Property Insights of 2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile
The XLogP value of 3.87588 indicates that 2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile 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 2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The CAS number of 2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile is 345257-22-9.
What is the molecular formula of 2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The molecular formula of 2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile is C17H13Cl3N4O.
What is the molecular weight of 2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The molecular weight of 2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile is 394.02 g/mol.
Where can I buy 2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
You can request a quote for 2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trichloro-6-[4-(phenylcarbonyl)piperazin-1-yl]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.