2-Phenylindole-3-acetonitrile
TL;DR: 2-Phenylindole-3-acetonitrile (CAS 79660-46-1) is a chemical compound with molecular formula C16H12N2 and molecular weight 232.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenyl-1H-indol-3-yl)acetonitrile
Also Known As: 2-PHENYLINDOLE-3-ACETONITRILE, 2-(2-phenyl-1H-indol-3-yl)acetonitrile, 2-phenyl-3-indolylacetonitrile, 2-Phenyl-1H-indole-3-acetonitrile, 1H-Indole-3-acetonitrile,2-phenyl-
| Molecular Formula | C16H12N2 |
|---|---|
| Molecular Weight | 232.10 g/mol |
| LogP | 3.90098 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.10005 |
| Heavy Atoms | 18 |
| Complexity | 717.6868 |
Chemical Identifiers
| CAS Number | 79660-46-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CC#N |
Product Overview
2-Phenylindole-3-acetonitrile (CAS 79660-46-1), with molecular formula C16H12N2 and molecular weight 232.10 g/mol. IUPAC: 2-(2-phenyl-1H-indol-3-yl)acetonitrile.
Chemical Property Profile of 2-Phenylindole-3-acetonitrile
Property Insights of 2-Phenylindole-3-acetonitrile
The XLogP value of 3.90098 indicates that 2-Phenylindole-3-acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.58 Ų, 2-Phenylindole-3-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylindole-3-acetonitrile 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
Frequently Asked Questions
What is the CAS number of 2-Phenylindole-3-acetonitrile?
The CAS number of 2-Phenylindole-3-acetonitrile is 79660-46-1.
What is the molecular formula of 2-Phenylindole-3-acetonitrile?
The molecular formula of 2-Phenylindole-3-acetonitrile is C16H12N2.
What is the molecular weight of 2-Phenylindole-3-acetonitrile?
The molecular weight of 2-Phenylindole-3-acetonitrile is 232.10 g/mol.
Where can I buy 2-Phenylindole-3-acetonitrile?
You can request a quote for 2-Phenylindole-3-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylindole-3-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylindole-3-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.