2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile
TL;DR: 2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile (CAS 120627-50-1) is a chemical compound with molecular formula C17H13N3O2 and molecular weight 291.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-benzyl-5-nitroindol-4-yl)acetonitrile
Also Known As: 2-(1-benzyl-5-nitroindol-4-yl)acetonitrile, 1H-Indole-4-acetonitrile, 5-nitro-1-(phenylmethyl)-, 2-(1-benzyl-5-nitro-1H-indol-4-yl)acetonitrile
Technical Specifications
| Molecular Formula | C17H13N3O2 |
| Molecular Weight | 291.10077 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 74.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.10077 Da |
| Heavy Atoms | 22 |
| Complexity | 447.0 |
| SMILES | C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3CC#N)[N+](=O)[O-] |
| InChIKey | NXNXQRLLOROGPU-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile
Property Insights of 2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile
The XLogP value of 3.1 indicates that 2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile 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 2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile?
The CAS number of 2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile is 120627-50-1.
What is the molecular formula of 2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile?
The molecular formula of 2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile is C17H13N3O2.
What is the molecular weight of 2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile?
The molecular weight of 2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile is 291.10077 g/mol.
Where can I buy 2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile?
You can request a quote for 2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(1-Benzyl-5-nitroindol-4-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.