(Triphenylphosphoranylidene)acetonitrile
TL;DR: (Triphenylphosphoranylidene)acetonitrile (CAS 16640-68-9) is a chemical compound with molecular formula C20H16NP and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(triphenyl-λ5-phosphanylidene)acetonitrile
Also Known As: (Triphenylphosphoranylidene)acetonitrile, 2-(Triphenylphosphoranylidene)acetonitrile, (Cyanomethylene)triphenylphosphorane, 2-(triphenyl-, Cyanomethylene triphenylphosphorane
| Molecular Formula | C20H16NP |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.10205 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 16640-68-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)P(=CC#N)(C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | APISVOVOJVZIBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(Triphenylphosphoranylidene)acetonitrile (CAS 16640-68-9), with molecular formula C20H16NP and molecular weight 301.10 g/mol. IUPAC: 2-(triphenyl-λ5-phosphanylidene)acetonitrile.
Chemical Property Profile of (Triphenylphosphoranylidene)acetonitrile
Property Insights of (Triphenylphosphoranylidene)acetonitrile
The XLogP value of 3.8 indicates that (Triphenylphosphoranylidene)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, (Triphenylphosphoranylidene)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Triphenylphosphoranylidene)acetonitrile 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 (Triphenylphosphoranylidene)acetonitrile?
The CAS number of (Triphenylphosphoranylidene)acetonitrile is 16640-68-9.
What is the molecular formula of (Triphenylphosphoranylidene)acetonitrile?
The molecular formula of (Triphenylphosphoranylidene)acetonitrile is C20H16NP.
What is the molecular weight of (Triphenylphosphoranylidene)acetonitrile?
The molecular weight of (Triphenylphosphoranylidene)acetonitrile is 301.10 g/mol.
Where can I buy (Triphenylphosphoranylidene)acetonitrile?
You can request a quote for (Triphenylphosphoranylidene)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Triphenylphosphoranylidene)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Triphenylphosphoranylidene)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.