![3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile structure](/static/products/2030/203048-05-9.webp)
3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile
TL;DR: 3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile (CAS 203048-05-9) is a chemical compound with molecular formula C18H19N3 and molecular weight 277.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-phenylpiperazin-1-yl)methyl]benzonitrile
Also Known As: 3-[(4-phenylpiperazin-1-yl)methyl]benzonitrile, AB00043499-01
| Molecular Formula | C18H19N3 |
|---|---|
| Molecular Weight | 277.16 g/mol |
| LogP | 2.88048 |
| Topological Polar Surface Area | 30.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.1579 |
| Heavy Atoms | 21 |
| Complexity | 622.41174 |
Chemical Identifiers
| CAS Number | 203048-05-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC(=CC=C2)C#N)C3=CC=CC=C3 |
Product Overview
3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile (CAS 203048-05-9), with molecular formula C18H19N3 and molecular weight 277.16 g/mol. IUPAC: 3-[(4-phenylpiperazin-1-yl)methyl]benzonitrile.
Chemical Property Profile of 3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile
Property Insights of 3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile
The XLogP value of 2.88048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile. With a topological polar surface area (TPSA) of 30.27 Ų, 3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile 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-Phenylpiperazin-1-yl)methyl]benzonitrile?
The CAS number of 3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile is 203048-05-9.
What is the molecular formula of 3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile?
The molecular formula of 3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile is C18H19N3.
What is the molecular weight of 3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile?
The molecular weight of 3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile is 277.16 g/mol.
Where can I buy 3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile?
You can request a quote for 3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Phenylpiperazin-1-yl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.