m-Cyanophenyldiphenylphosphin
TL;DR: m-Cyanophenyldiphenylphosphin (CAS 143782-25-6) is a chemical compound with molecular formula C14H12F3N3OS and molecular weight 327.0653 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(trifluoromethyl)-4-(3,4,4-trimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile
Also Known As: m-Cyanophenyldiphenylphosphin, RU 56187, 2-(trifluoromethyl)-4-(3,4,4-trimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)benzonitrile, 4-(3,4,4-Trimethyl-5-oxo-2-thioxo-1-imidazolidinyl)-2-(trifluoromethyl)benzonitrile, Benzonitrile,2-(trifluoromethyl)-4-(3,4,4-trimethyl-5-oxo-2-thioxo-1-imidazolidinyl)-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H12F3N3OS |
| Molecular Weight | 327.0653 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 79.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.0653 Da |
| Heavy Atoms | 22 |
| Complexity | 551.0 |
| SMILES | CC1(C(=O)N(C(=S)N1C)C2=CC(=C(C=C2)C#N)C(F)(F)F)C |
| InChIKey | HLBUAKQNKJTEIU-UHFFFAOYSA-N |
Chemical Property Profile of m-Cyanophenyldiphenylphosphin
Property Insights of m-Cyanophenyldiphenylphosphin
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Cyanophenyldiphenylphosphin. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for m-Cyanophenyldiphenylphosphin. Following Lipinski's Rule of Five, m-Cyanophenyldiphenylphosphin has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of m-Cyanophenyldiphenylphosphin?
The CAS number of m-Cyanophenyldiphenylphosphin is 143782-25-6.
What is the molecular formula of m-Cyanophenyldiphenylphosphin?
The molecular formula of m-Cyanophenyldiphenylphosphin is C14H12F3N3OS.
What is the molecular weight of m-Cyanophenyldiphenylphosphin?
The molecular weight of m-Cyanophenyldiphenylphosphin is 327.0653 g/mol.
Where can I buy m-Cyanophenyldiphenylphosphin?
You can request a quote for m-Cyanophenyldiphenylphosphin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for m-Cyanophenyldiphenylphosphin?
Yes, CoreyChem provides custom synthesis services for m-Cyanophenyldiphenylphosphin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.