Indole-3-acetonitrile
TL;DR: Indole-3-acetonitrile (CAS 7210-27-7) is a chemical compound with molecular formula C10H8N2 and molecular weight 156.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-indol-3-yl)acetonitrile
Also Known As: 3-Indoleacetonitrile, Indole-3-acetonitrile, 3-Indolylacetonitrile, 2-(1H-indol-3-yl)acetonitrile, Indolylacetonitrile
| Molecular Formula | C10H8N2 |
|---|---|
| Molecular Weight | 156.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.06874 |
| Heavy Atoms | 12 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 7210-27-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC#N |
| InChIKey | DMCPFOBLJMLSNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indole-3-acetonitrile (CAS 7210-27-7), with molecular formula C10H8N2 and molecular weight 156.07 g/mol. IUPAC: 2-(1H-indol-3-yl)acetonitrile.
Chemical Property Profile of Indole-3-acetonitrile
Property Insights of Indole-3-acetonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-3-acetonitrile. With a topological polar surface area (TPSA) of 39.6 Ų, Indole-3-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-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 Indole-3-acetonitrile?
The CAS number of Indole-3-acetonitrile is 7210-27-7.
What is the molecular formula of Indole-3-acetonitrile?
The molecular formula of Indole-3-acetonitrile is C10H8N2.
What is the molecular weight of Indole-3-acetonitrile?
The molecular weight of Indole-3-acetonitrile is 156.07 g/mol.
Where can I buy Indole-3-acetonitrile?
You can request a quote for Indole-3-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole-3-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Indole-3-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.