(3-Cyanobenzyl)triphenylphosphonium bromide
TL;DR: (3-Cyanobenzyl)triphenylphosphonium bromide (CAS 169503-38-2) is a chemical compound with molecular formula C26H21BrNP and molecular weight 457.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyanophenyl)methyl-triphenylphosphanium bromide
Also Known As: (3-cyanobenzyl)triphenylphosphonium bromide, (3-cyanophenyl)methyl-triphenylphosphanium, (3-cyanobenzyl)(triphenyl)phosphonium bromide, (3-cyanophenyl)methyl-triphenylphosphanium bromide, (3-cyanophenyl)methyl-triphenyl-phosphanium Bromide
| Molecular Formula | C26H21BrNP |
|---|---|
| Molecular Weight | 457.06 g/mol |
| LogP | 2.05638 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.0595 |
| Heavy Atoms | 29 |
| Complexity | 992.9499 |
Chemical Identifiers
| CAS Number | 169503-38-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)[P+](CC2=CC(=CC=C2)C#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-] |
Product Overview
(3-Cyanobenzyl)triphenylphosphonium bromide (CAS 169503-38-2), with molecular formula C26H21BrNP and molecular weight 457.06 g/mol. IUPAC: (3-cyanophenyl)methyl-triphenylphosphanium bromide.
Chemical Property Profile of (3-Cyanobenzyl)triphenylphosphonium bromide
Property Insights of (3-Cyanobenzyl)triphenylphosphonium bromide
The XLogP value of 2.05638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Cyanobenzyl)triphenylphosphonium bromide. With a topological polar surface area (TPSA) of 23.79 Ų, (3-Cyanobenzyl)triphenylphosphonium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Cyanobenzyl)triphenylphosphonium 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 (3-Cyanobenzyl)triphenylphosphonium bromide?
The CAS number of (3-Cyanobenzyl)triphenylphosphonium bromide is 169503-38-2.
What is the molecular formula of (3-Cyanobenzyl)triphenylphosphonium bromide?
The molecular formula of (3-Cyanobenzyl)triphenylphosphonium bromide is C26H21BrNP.
What is the molecular weight of (3-Cyanobenzyl)triphenylphosphonium bromide?
The molecular weight of (3-Cyanobenzyl)triphenylphosphonium bromide is 457.06 g/mol.
Where can I buy (3-Cyanobenzyl)triphenylphosphonium bromide?
You can request a quote for (3-Cyanobenzyl)triphenylphosphonium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Cyanobenzyl)triphenylphosphonium bromide?
Yes, KEHONG BIO provides custom synthesis services for (3-Cyanobenzyl)triphenylphosphonium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.