![4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile structure](/static/products/946/946731-56-2.png)
4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile
TL;DR: 4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile (CAS 946731-56-2) is a chemical compound with molecular formula C19H21N3O and molecular weight 307.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzonitrile
Also Known As: 4-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}benzonitrile, 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzonitrile
| Molecular Formula | C19H21N3O |
|---|---|
| Molecular Weight | 307.17 g/mol |
| LogP | 2.88908 |
| Topological Polar Surface Area | 39.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.16846 |
| Heavy Atoms | 23 |
| Complexity | 682.50604 |
Chemical Identifiers
| CAS Number | 946731-56-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N2CCN(CC2)CC3=CC=C(C=C3)C#N |
Product Overview
4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile (CAS 946731-56-2), with molecular formula C19H21N3O and molecular weight 307.17 g/mol. IUPAC: 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzonitrile.
Chemical Property Profile of 4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile
Property Insights of 4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile
The XLogP value of 2.88908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile. With a topological polar surface area (TPSA) of 39.5 Ų, 4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile 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 4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile?
The CAS number of 4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile is 946731-56-2.
What is the molecular formula of 4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile?
The molecular formula of 4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile is C19H21N3O.
What is the molecular weight of 4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile?
The molecular weight of 4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile is 307.17 g/mol.
Where can I buy 4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile?
You can request a quote for 4-{[4-(3-Methoxyphenyl)piperazin-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 4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-(3-Methoxyphenyl)piperazin-1-yl]methyl}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.