(4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium
TL;DR: (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium (CAS 836627-28-2) is a chemical compound with molecular formula C17H18N4P+ and molecular weight 309.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2-cyanoethyl)-[(4-cyanophenyl)methyl]phosphanium
Also Known As: (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium, tris(2-cyanoethyl)-[(4-cyanophenyl)methyl]phosphanium, tris(2-cyanoethyl)[(4-cyanophenyl)methyl]phosphanium, 4-{[1,1,1-tri(2-cyanoethyl)phosphonio]methyl}benzonitrile
| Molecular Formula | C17H18N4P+ |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 3.81692 |
| Topological Polar Surface Area | 95.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 309.12692 |
| Heavy Atoms | 22 |
| Complexity | 592.15344 |
Chemical Identifiers
| CAS Number | 836627-28-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C[P+](CCC#N)(CCC#N)CCC#N)C#N |
Product Overview
(4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium (CAS 836627-28-2), with molecular formula C17H18N4P+ and molecular weight 309.13 g/mol. IUPAC: tris(2-cyanoethyl)-[(4-cyanophenyl)methyl]phosphanium.
Chemical Property Profile of (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium
Property Insights of (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium
The XLogP value of 3.81692 indicates that (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium. Following Lipinski's Rule of Five, (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium 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-Cyanobenzyl)tris(2-cyanoethyl)phosphonium?
The CAS number of (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium is 836627-28-2.
What is the molecular formula of (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium?
The molecular formula of (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium is C17H18N4P+.
What is the molecular weight of (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium?
The molecular weight of (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium is 309.13 g/mol.
Where can I buy (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium?
You can request a quote for (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium?
Yes, KEHONG BIO provides custom synthesis services for (4-Cyanobenzyl)tris(2-cyanoethyl)phosphonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.