3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate
TL;DR: 3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate (CAS 57537-04-9) is a chemical compound with molecular formula C21H23N3O4 and molecular weight 381.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile
Also Known As: 1-(2-Cyanoethyl)-4-(2-naphthyl)piperazine maleate, 4-(2-Naphthalenyl)-1-piperazinepropanenitrile maleate, 3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate, 3-(4-NAPHTHALEN-2-YLPIPERAZIN-1-YL)PROPANENITRILE MALEATE, (2Z)-but-2-enedioic acid; 3-[4-(naphthalen-2-yl)piperazin-1-yl]propanenitrile
| Molecular Formula | C21H23N3O4 |
|---|---|
| Molecular Weight | 381.17 g/mol |
| LogP | 2.58728 |
| Topological Polar Surface Area | 104.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.16885 |
| Heavy Atoms | 28 |
| Complexity | 864.59485 |
Chemical Identifiers
| CAS Number | 57537-04-9 |
|---|---|
| SMILES | C1CN(CCN1CCC#N)C2=CC3=CC=CC=C3C=C2.C(=CC(=O)O)C(=O)O |
Product Overview
3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate (CAS 57537-04-9), with molecular formula C21H23N3O4 and molecular weight 381.17 g/mol. IUPAC: but-2-enedioic acid;3-(4-naphthalen-2-ylpiperazin-1-yl)propanenitrile.
Chemical Property Profile of 3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate
Property Insights of 3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate
The XLogP value of 2.58728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate. The TPSA of 104.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate. Following Lipinski's Rule of Five, 3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate has 2 hydrogen bond donor(s) and 5 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-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate?
The CAS number of 3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate is 57537-04-9.
What is the molecular formula of 3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate?
The molecular formula of 3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate is C21H23N3O4.
What is the molecular weight of 3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate?
The molecular weight of 3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate is 381.17 g/mol.
Where can I buy 3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate?
You can request a quote for 3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-(Naphthalen-2-yl)piperazin-1-yl)propanenitrile maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.