Tributyl(4-cyanobenzyl)phosphonium bromide
TL;DR: Tributyl(4-cyanobenzyl)phosphonium bromide (CAS 140141-42-0) is a chemical compound with molecular formula C20H33BrNP and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tributyl-[(4-cyanophenyl)methyl]phosphanium bromide
Also Known As: tributyl(4-cyanobenzyl)phosphonium bromide, tributyl-[(4-cyanophenyl)methyl]phosphanium;bromide, Tributyl(4-cyanobenzyl)phosphoniumbromide, tributyl[(4-cyanophenyl)methyl]phosphanium bromide, Tributyl-[(4-cyanophenyl)methyl]phosphanium Bromide
| Molecular Formula | C20H33BrNP |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 3.48018 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Exact Mass | 397.1534 |
| Heavy Atoms | 23 |
| Complexity | 427.9302 |
Chemical Identifiers
| CAS Number | 140141-42-0 |
|---|---|
| SMILES | CCCC[P+](CCCC)(CCCC)CC1=CC=C(C=C1)C#N.[Br-] |
Product Overview
Tributyl(4-cyanobenzyl)phosphonium bromide (CAS 140141-42-0), with molecular formula C20H33BrNP and molecular weight 397.15 g/mol. IUPAC: tributyl-[(4-cyanophenyl)methyl]phosphanium bromide.
Chemical Property Profile of Tributyl(4-cyanobenzyl)phosphonium bromide
Property Insights of Tributyl(4-cyanobenzyl)phosphonium bromide
The XLogP value of 3.48018 indicates that Tributyl(4-cyanobenzyl)phosphonium bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, Tributyl(4-cyanobenzyl)phosphonium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tributyl(4-cyanobenzyl)phosphonium bromide has 0 hydrogen bond donor(s) and 1 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 Tributyl(4-cyanobenzyl)phosphonium bromide?
The CAS number of Tributyl(4-cyanobenzyl)phosphonium bromide is 140141-42-0.
What is the molecular formula of Tributyl(4-cyanobenzyl)phosphonium bromide?
The molecular formula of Tributyl(4-cyanobenzyl)phosphonium bromide is C20H33BrNP.
What is the molecular weight of Tributyl(4-cyanobenzyl)phosphonium bromide?
The molecular weight of Tributyl(4-cyanobenzyl)phosphonium bromide is 397.15 g/mol.
Where can I buy Tributyl(4-cyanobenzyl)phosphonium bromide?
You can request a quote for Tributyl(4-cyanobenzyl)phosphonium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tributyl(4-cyanobenzyl)phosphonium bromide?
Yes, KEHONG BIO provides custom synthesis services for Tributyl(4-cyanobenzyl)phosphonium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.