5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid
TL;DR: 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid (CAS 194490-19-2) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-1H-indole-2-carboxylic acid
Also Known As: 5-tert-butyl-1H-indole-2-carboxylic Acid, 5-(tert-butyl)-1H-indole-2-carboxylic acid, 5-tert-butylindole-2-carboxylic acid, 5 -tert-butylindole-2-carboxylic acid, 5-tert-butyl-1H-indole-2-carboxylicAcid
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 3.1636 |
| Topological Polar Surface Area | 53.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 546.5482 |
Chemical Identifiers
| CAS Number | 194490-19-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)NC(=C2)C(=O)O |
Product Overview
5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid (CAS 194490-19-2), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 5-tert-butyl-1H-indole-2-carboxylic acid.
Chemical Property Profile of 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid
Property Insights of 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid
The XLogP value of 3.1636 indicates that 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.09 Ų, 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid has 2 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 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid?
The CAS number of 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid is 194490-19-2.
What is the molecular formula of 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid?
The molecular formula of 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid is C13H15NO2.
What is the molecular weight of 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid?
The molecular weight of 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid is 217.11 g/mol.
Where can I buy 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid?
You can request a quote for 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,1-Dimethylethyl)-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.