3-((Triphenylphosphoranyl)methyl)benzonitrile
TL;DR: 3-((Triphenylphosphoranyl)methyl)benzonitrile (CAS 24722-19-8) is a chemical compound with molecular formula C26H21NP+ and molecular weight 378.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyanophenyl)methyl-triphenylphosphanium
Also Known As: 3-((Triphenylphosphoranyl)methyl)benzonitrile, (3-cyanophenyl)methyl-triphenylphosphanium, (3-cyano-benzyl)-triphenyl-phosphonium, (3-cyanophenyl)methyl-triphenyl-phosphonium, [(3-Cyanophenyl)methyl]tri(phenyl)phosphanium
| Molecular Formula | C26H21NP+ |
|---|---|
| Molecular Weight | 378.14 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.14117 |
| Heavy Atoms | 28 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 24722-19-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)[P+](CC2=CC(=CC=C2)C#N)(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | ULNCTZJZNJCVFN-UHFFFAOYSA-N |
Product Overview
3-((Triphenylphosphoranyl)methyl)benzonitrile (CAS 24722-19-8), with molecular formula C26H21NP+ and molecular weight 378.14 g/mol. IUPAC: (3-cyanophenyl)methyl-triphenylphosphanium.
Chemical Property Profile of 3-((Triphenylphosphoranyl)methyl)benzonitrile
Property Insights of 3-((Triphenylphosphoranyl)methyl)benzonitrile
The XLogP value of 5.8 indicates that 3-((Triphenylphosphoranyl)methyl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3-((Triphenylphosphoranyl)methyl)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((Triphenylphosphoranyl)methyl)benzonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((Triphenylphosphoranyl)methyl)benzonitrile?
The CAS number of 3-((Triphenylphosphoranyl)methyl)benzonitrile is 24722-19-8.
What is the molecular formula of 3-((Triphenylphosphoranyl)methyl)benzonitrile?
The molecular formula of 3-((Triphenylphosphoranyl)methyl)benzonitrile is C26H21NP+.
What is the molecular weight of 3-((Triphenylphosphoranyl)methyl)benzonitrile?
The molecular weight of 3-((Triphenylphosphoranyl)methyl)benzonitrile is 378.14 g/mol.
Where can I buy 3-((Triphenylphosphoranyl)methyl)benzonitrile?
You can request a quote for 3-((Triphenylphosphoranyl)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-((Triphenylphosphoranyl)methyl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((Triphenylphosphoranyl)methyl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.