1-Propene-1,1,3-tricarbonitrile, 2-phenyl-
TL;DR: 1-Propene-1,1,3-tricarbonitrile, 2-phenyl- (CAS 101685-29-4) is a chemical compound with molecular formula C12H7N3 and molecular weight 193.064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylprop-1-ene-1,1,3-tricarbonitrile
Also Known As: 2-phenylprop-1-ene-1,1,3-tricarbonitrile, 1-Propene-1,1,3-tricarbonitrile, 2-phenyl-, 1,1,3-tricyano-2-phenylpropene, 2-phenyl-1,1,3-tricyano propene, 2-phenyl-1,1,3-tricyano-propene
Technical Specifications
| Molecular Formula | C12H7N3 |
| Molecular Weight | 193.064 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.064 Da |
| Heavy Atoms | 15 |
| Complexity | 380.0 |
| SMILES | C1=CC=C(C=C1)C(=C(C#N)C#N)CC#N |
| InChIKey | OKGPOSFUSLYERN-UHFFFAOYSA-N |
Chemical Property Profile of 1-Propene-1,1,3-tricarbonitrile, 2-phenyl-
Property Insights of 1-Propene-1,1,3-tricarbonitrile, 2-phenyl-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propene-1,1,3-tricarbonitrile, 2-phenyl-. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propene-1,1,3-tricarbonitrile, 2-phenyl-. Following Lipinski's Rule of Five, 1-Propene-1,1,3-tricarbonitrile, 2-phenyl- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Propene-1,1,3-tricarbonitrile, 2-phenyl-?
The CAS number of 1-Propene-1,1,3-tricarbonitrile, 2-phenyl- is 101685-29-4.
What is the molecular formula of 1-Propene-1,1,3-tricarbonitrile, 2-phenyl-?
The molecular formula of 1-Propene-1,1,3-tricarbonitrile, 2-phenyl- is C12H7N3.
What is the molecular weight of 1-Propene-1,1,3-tricarbonitrile, 2-phenyl-?
The molecular weight of 1-Propene-1,1,3-tricarbonitrile, 2-phenyl- is 193.064 g/mol.
Where can I buy 1-Propene-1,1,3-tricarbonitrile, 2-phenyl-?
You can request a quote for 1-Propene-1,1,3-tricarbonitrile, 2-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Propene-1,1,3-tricarbonitrile, 2-phenyl-?
Yes, CoreyChem provides custom synthesis services for 1-Propene-1,1,3-tricarbonitrile, 2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.