![3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile structure](/static/products/5437/543717-57-3.webp)
3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile
TL;DR: 3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile (CAS 543717-57-3) is a chemical compound with molecular formula C15H19N3O and molecular weight 257.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile
Also Known As: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile, 3-(4-(2,3-Dimethylphenyl)piperazin-1-yl)-3-oxopropanenitrile, 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxo-propanenitrile, 3-[4-(2,3-dimethylphenyl)piperazinyl]-3-oxopropanenitrile, 3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-oxopropanenitrile
| Molecular Formula | C15H19N3O |
|---|---|
| Molecular Weight | 257.15 g/mol |
| LogP | 1.86572 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.1528 |
| Heavy Atoms | 19 |
| Complexity | 510.61224 |
Chemical Identifiers
| CAS Number | 543717-57-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CC#N)C |
Product Overview
3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile (CAS 543717-57-3), with molecular formula C15H19N3O and molecular weight 257.15 g/mol. IUPAC: 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile.
Chemical Property Profile of 3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile
Property Insights of 3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile
The XLogP value of 1.86572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile. With a topological polar surface area (TPSA) of 47.34 Ų, 3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile 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 3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile?
The CAS number of 3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile is 543717-57-3.
What is the molecular formula of 3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile?
The molecular formula of 3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile is C15H19N3O.
What is the molecular weight of 3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile?
The molecular weight of 3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile is 257.15 g/mol.
Where can I buy 3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile?
You can request a quote for 3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(2,3-Dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.