(1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile
TL;DR: (1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile (CAS 73927-55-6) is a chemical compound with molecular formula C16H10N4 and molecular weight 258.09055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-benzylpyrrol-2-yl)ethene-1,1,2-tricarbonitrile
Also Known As: 2-(Tricyanovinyl)-1-benzylpyrrole, 2- ethene-1,1,2-tricarbonitrile, ETHENETRICARBONITRILE, (1-BENZYL-2-PYRROLYL)-, (1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile, Ethenetricarbonitrile, (1-(phenylmethyl)-1H-pyrrol-2-yl)-
Technical Specifications
| Molecular Formula | C16H10N4 |
| Molecular Weight | 258.09055 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 76.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.09055 Da |
| Heavy Atoms | 20 |
| Complexity | 509.0 |
| SMILES | C1=CC=C(C=C1)CN2C=CC=C2C(=C(C#N)C#N)C#N |
| InChIKey | SWHDMUGSDSLCTP-UHFFFAOYSA-N |
Chemical Property Profile of (1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile
Property Insights of (1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile. Following Lipinski's Rule of Five, (1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile 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-Benzyl-2-pyrrolyl)-ethenetricarbonitrile?
The CAS number of (1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile is 73927-55-6.
What is the molecular formula of (1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile?
The molecular formula of (1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile is C16H10N4.
What is the molecular weight of (1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile?
The molecular weight of (1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile is 258.09055 g/mol.
Where can I buy (1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile?
You can request a quote for (1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile?
Yes, CoreyChem provides custom synthesis services for (1-Benzyl-2-pyrrolyl)-ethenetricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.