3-(Triphenylphosphoranyl)propanenitrile
TL;DR: 3-(Triphenylphosphoranyl)propanenitrile (CAS 51353-57-2) is a chemical compound with molecular formula C21H19NP+ and molecular weight 316.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl(triphenyl)phosphanium
Also Known As: 3-(Triphenylphosphoranyl)propanenitrile, (2-Cyanoethyl)triphenylphosphonium, bis(phenylsulfanylmethyl)mercury, (2-Cyanoethyl)triphenylphosphonium ion, Phosphonium, (2-cyanoethyl)triphenyl-
| Molecular Formula | C21H19NP+ |
|---|---|
| Molecular Weight | 316.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.12552 |
| Heavy Atoms | 23 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 51353-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)[P+](CCC#N)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | HYCVQYHHNVYMQK-UHFFFAOYSA-N |
Product Overview
3-(Triphenylphosphoranyl)propanenitrile (CAS 51353-57-2), with molecular formula C21H19NP+ and molecular weight 316.13 g/mol. IUPAC: 2-cyanoethyl(triphenyl)phosphanium.
Chemical Property Profile of 3-(Triphenylphosphoranyl)propanenitrile
Property Insights of 3-(Triphenylphosphoranyl)propanenitrile
The XLogP value of 4.3 indicates that 3-(Triphenylphosphoranyl)propanenitrile 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)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Triphenylphosphoranyl)propanenitrile 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-(Triphenylphosphoranyl)propanenitrile?
The CAS number of 3-(Triphenylphosphoranyl)propanenitrile is 51353-57-2.
What is the molecular formula of 3-(Triphenylphosphoranyl)propanenitrile?
The molecular formula of 3-(Triphenylphosphoranyl)propanenitrile is C21H19NP+.
What is the molecular weight of 3-(Triphenylphosphoranyl)propanenitrile?
The molecular weight of 3-(Triphenylphosphoranyl)propanenitrile is 316.13 g/mol.
Where can I buy 3-(Triphenylphosphoranyl)propanenitrile?
You can request a quote for 3-(Triphenylphosphoranyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Triphenylphosphoranyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(Triphenylphosphoranyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.