Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)-
TL;DR: Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)- (CAS 101831-75-8) is a chemical compound with molecular formula C17H21N3 and molecular weight 267.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(azepan-1-yl)ethyl]-1H-indole-5-carbonitrile
Also Known As: 5-Cyano-3-hexamethyleneiminoethyl indole, 3-(Hexahydro-1H-azepinylethyl)-5-indolecarbonitrile, INDOLE-5-CARBONITRILE, 3-(HEXAHYDRO-1H-AZEPINYLETHYL)-, 3-[2-(azepan-1-yl)ethyl]-1H-indole-5-carbonitrile, RefChem:349342
| Molecular Formula | C17H21N3 |
|---|---|
| Molecular Weight | 267.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 42.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.17355 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 101831-75-8 |
|---|---|
| SMILES | C1CCCN(CC1)CCC2=CNC3=C2C=C(C=C3)C#N |
| InChIKey | TUZGICCELXBYRK-UHFFFAOYSA-N |
Product Overview
Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)- (CAS 101831-75-8), with molecular formula C17H21N3 and molecular weight 267.17 g/mol. IUPAC: 3-[2-(azepan-1-yl)ethyl]-1H-indole-5-carbonitrile.
Chemical Property Profile of Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)-
Property Insights of Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)-. With a topological polar surface area (TPSA) of 42.8 Ų, Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)- has 1 hydrogen bond donor(s) and 2 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-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)-?
The CAS number of Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)- is 101831-75-8.
What is the molecular formula of Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)-?
The molecular formula of Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)- is C17H21N3.
What is the molecular weight of Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)-?
The molecular weight of Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)- is 267.17 g/mol.
Where can I buy Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)-?
You can request a quote for Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Indole-5-carbonitrile, 3-(hexahydro-1H-azepinylethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.