2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile
TL;DR: 2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile (CAS 900640-47-3) is a chemical compound with molecular formula C13H14N2 and molecular weight 198.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1H-indole-5-carbonitrile
Also Known As: 2-tert-butyl-1H-indole-5-carbonitrile, 2-(tert-Butyl)-1H-indole-5-carbonitrile, 2-(tert-butyl)-1H-indol-5-yl cyanide, 2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile, AB01315505-02
| Molecular Formula | C13H14N2 |
|---|---|
| Molecular Weight | 198.12 g/mol |
| LogP | 3.33708 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.11569 |
| Heavy Atoms | 15 |
| Complexity | 535.6418 |
Chemical Identifiers
| CAS Number | 900640-47-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(N1)C=CC(=C2)C#N |
Product Overview
2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile (CAS 900640-47-3), with molecular formula C13H14N2 and molecular weight 198.12 g/mol. IUPAC: 2-tert-butyl-1H-indole-5-carbonitrile.
Chemical Property Profile of 2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile
Property Insights of 2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile
The XLogP value of 3.33708 indicates that 2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile 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-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile 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-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile?
The CAS number of 2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile is 900640-47-3.
What is the molecular formula of 2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile?
The molecular formula of 2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile is C13H14N2.
What is the molecular weight of 2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile?
The molecular weight of 2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile is 198.12 g/mol.
Where can I buy 2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile?
You can request a quote for 2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-Dimethylethyl)-1H-indole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.