Indole-5-carbonitrile, 3-benzyl-
TL;DR: Indole-5-carbonitrile, 3-benzyl- (CAS 17380-31-3) is a chemical compound with molecular formula C16H12N2 and molecular weight 232.10005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-1H-indole-5-carbonitrile
Also Known As: 3-benzyl-1H-indole-5-carbonitrile, 3-Benzyl-5-cyanoindole, 3-Benzylindole-5-carbonitrile, INDOLE-5-CARBONITRILE, 3-BENZYL-, INDOLE-5-CARBONITRILE,3-BENZYL
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H12N2 |
| Molecular Weight | 232.10005 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.10005 Da |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
| SMILES | C1=CC=C(C=C1)CC2=CNC3=C2C=C(C=C3)C#N |
| InChIKey | FYYLYGUSDSKOPK-UHFFFAOYSA-N |
Chemical Property Profile of Indole-5-carbonitrile, 3-benzyl-
Property Insights of Indole-5-carbonitrile, 3-benzyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-5-carbonitrile, 3-benzyl-. With a topological polar surface area (TPSA) of 39.6 Ų, Indole-5-carbonitrile, 3-benzyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-5-carbonitrile, 3-benzyl- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Indole-5-carbonitrile, 3-benzyl-?
The CAS number of Indole-5-carbonitrile, 3-benzyl- is 17380-31-3.
What is the molecular formula of Indole-5-carbonitrile, 3-benzyl-?
The molecular formula of Indole-5-carbonitrile, 3-benzyl- is C16H12N2.
What is the molecular weight of Indole-5-carbonitrile, 3-benzyl-?
The molecular weight of Indole-5-carbonitrile, 3-benzyl- is 232.10005 g/mol.
Where can I buy Indole-5-carbonitrile, 3-benzyl-?
You can request a quote for Indole-5-carbonitrile, 3-benzyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Indole-5-carbonitrile, 3-benzyl-?
Yes, CoreyChem provides custom synthesis services for Indole-5-carbonitrile, 3-benzyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.