2-tert-butyl-5-methyl-1H-indole
TL;DR: 2-tert-butyl-5-methyl-1H-indole (CAS 69622-41-9) is a chemical compound with molecular formula C13H17N and molecular weight 187.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-methyl-1H-indole
Also Known As: 2-tert-butyl-5-methyl-1H-indole, 2-(TERT-BUTYL)-5-METHYL-1H-INDOLE, 2-tert-Butyl-5-methyl-indol, 2-(tert-butyl)-5-methylindole, 2- -5-METHYL-1H-INDOLE
| Molecular Formula | C13H17N |
|---|---|
| Molecular Weight | 187.14 g/mol |
| LogP | 3.77382 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.1361 |
| Heavy Atoms | 14 |
| Complexity | 457.53058 |
Chemical Identifiers
| CAS Number | 69622-41-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=C2)C(C)(C)C |
Product Overview
2-tert-butyl-5-methyl-1H-indole (CAS 69622-41-9), with molecular formula C13H17N and molecular weight 187.14 g/mol. IUPAC: 2-tert-butyl-5-methyl-1H-indole.
Chemical Property Profile of 2-tert-butyl-5-methyl-1H-indole
Property Insights of 2-tert-butyl-5-methyl-1H-indole
The XLogP value of 3.77382 indicates that 2-tert-butyl-5-methyl-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.79 Ų, 2-tert-butyl-5-methyl-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-butyl-5-methyl-1H-indole has 1 hydrogen bond donor(s) and 0 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-tert-butyl-5-methyl-1H-indole?
The CAS number of 2-tert-butyl-5-methyl-1H-indole is 69622-41-9.
What is the molecular formula of 2-tert-butyl-5-methyl-1H-indole?
The molecular formula of 2-tert-butyl-5-methyl-1H-indole is C13H17N.
What is the molecular weight of 2-tert-butyl-5-methyl-1H-indole?
The molecular weight of 2-tert-butyl-5-methyl-1H-indole is 187.14 g/mol.
Where can I buy 2-tert-butyl-5-methyl-1H-indole?
You can request a quote for 2-tert-butyl-5-methyl-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-butyl-5-methyl-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-butyl-5-methyl-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.