Indole-3-propionitrile
TL;DR: Indole-3-propionitrile (CAS 4414-76-0) is a chemical compound with molecular formula C11H10N2 and molecular weight 170.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-indol-3-yl)propanenitrile
Also Known As: 1H-Indole-3-propiononitrile, 3-(1H-indol-3-yl)propanenitrile, Indole-3-propionitrile, 1H-Indole-3-propanenitrile, 1H-indole-3-propionitrile
| Molecular Formula | C11H10N2 |
|---|---|
| Molecular Weight | 170.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 39.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.0844 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 4414-76-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCC#N |
| InChIKey | QZBSQJAILQLCJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Indole-3-propionitrile (CAS 4414-76-0), with molecular formula C11H10N2 and molecular weight 170.08 g/mol. IUPAC: 3-(1H-indol-3-yl)propanenitrile.
Chemical Property Profile of Indole-3-propionitrile
Property Insights of Indole-3-propionitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-3-propionitrile. With a topological polar surface area (TPSA) of 39.6 Ų, Indole-3-propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-3-propionitrile 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-propionitrile?
The CAS number of Indole-3-propionitrile is 4414-76-0.
What is the molecular formula of Indole-3-propionitrile?
The molecular formula of Indole-3-propionitrile is C11H10N2.
What is the molecular weight of Indole-3-propionitrile?
The molecular weight of Indole-3-propionitrile is 170.08 g/mol.
Where can I buy Indole-3-propionitrile?
You can request a quote for Indole-3-propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole-3-propionitrile?
Yes, KEHONG BIO provides custom synthesis services for Indole-3-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.