![3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile structure](/static/products/6767/6767-60-8.webp)
3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile
TL;DR: 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile (CAS 6767-60-8) is a chemical compound with molecular formula C16H22ClN3O and molecular weight 307.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[4-(4-chlorophenyl)piperazin-1-yl]propoxy]propanenitrile
Also Known As: 3-{3-[4-(4-chlorophenyl)piperazin-1-yl]propoxy}propanenitrile, 3-[3-[4-(4-chlorophenyl)piperazin-1-yl]propoxy]propanenitrile, Propanenitrile,3-[3-[4-(4-chlorophenyl)-1-piperazinyl]propoxy]-
| Molecular Formula | C16H22ClN3O |
|---|---|
| Molecular Weight | 307.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 39.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 307.14514 |
| Heavy Atoms | 21 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 6767-60-8 |
|---|---|
| SMILES | C1CN(CCN1CCCOCCC#N)C2=CC=C(C=C2)Cl |
| InChIKey | KPPJHLGFBMNLDB-UHFFFAOYSA-N |
Product Overview
3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile (CAS 6767-60-8), with molecular formula C16H22ClN3O and molecular weight 307.15 g/mol. IUPAC: 3-[3-[4-(4-chlorophenyl)piperazin-1-yl]propoxy]propanenitrile.
Chemical Property Profile of 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile
Property Insights of 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile. With a topological polar surface area (TPSA) of 39.5 Ų, 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile 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 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile?
The CAS number of 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile is 6767-60-8.
What is the molecular formula of 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile?
The molecular formula of 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile is C16H22ClN3O.
What is the molecular weight of 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile?
The molecular weight of 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile is 307.15 g/mol.
Where can I buy 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile?
You can request a quote for 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-[4-(4-Chlorophenyl)piperazin-1-yl]propoxy}propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.