![3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile structure](/static/products/3442/344276-15-9.webp)
3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile
TL;DR: 3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile (CAS 344276-15-9) is a chemical compound with molecular formula C13H15ClN4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile
Also Known As: 3-[4-(2-chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile, 3-[4-(2-chlorophenyl)piperazino]-3-iminopropanenitrile, 3-[4-(2-Chlorophenyl)-1-piperazinyl]-3-iminopropanenitrile
| Molecular Formula | C13H15ClN4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 2.35295 |
| Topological Polar Surface Area | 54.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.0985 |
| Heavy Atoms | 18 |
| Complexity | 472.12476 |
Chemical Identifiers
| CAS Number | 344276-15-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2Cl)C(=N)CC#N |
Product Overview
3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile (CAS 344276-15-9), with molecular formula C13H15ClN4 and molecular weight 262.10 g/mol. IUPAC: 3-[4-(2-chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile.
Chemical Property Profile of 3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile
Property Insights of 3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile
The XLogP value of 2.35295 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile. With a topological polar surface area (TPSA) of 54.12 Ų, 3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile has 1 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 3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile?
The CAS number of 3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile is 344276-15-9.
What is the molecular formula of 3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile?
The molecular formula of 3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile is C13H15ClN4.
What is the molecular weight of 3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile?
The molecular weight of 3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile is 262.10 g/mol.
Where can I buy 3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile?
You can request a quote for 3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(2-Chlorophenyl)piperazin-1-yl]-3-iminopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.