2-(tert-Butyl)-5-ethoxyindoline
TL;DR: 2-(tert-Butyl)-5-ethoxyindoline (CAS 595547-06-1) is a chemical compound with molecular formula C14H21NO and molecular weight 219.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-ethoxy-2,3-dihydro-1H-indole
Also Known As: 2-(tert-Butyl)-5-ethoxyindoline, 2-tert-butyl-5-ethoxy-2,3-dihydro-1H-indole, 5-ethoxy-2-tert-butyl-2,3-dihydro-1H-indole, 1H-Indole, 2-(1,1-dimethylethyl)-5-ethoxy-2,3-dihydro- (9CI)
| Molecular Formula | C14H21NO |
|---|---|
| Molecular Weight | 219.16 g/mol |
| LogP | 3.468 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.16231 |
| Heavy Atoms | 16 |
| Complexity | 378.812 |
Chemical Identifiers
| CAS Number | 595547-06-1 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)NC(C2)C(C)(C)C |
Product Overview
2-(tert-Butyl)-5-ethoxyindoline (CAS 595547-06-1), with molecular formula C14H21NO and molecular weight 219.16 g/mol. IUPAC: 2-tert-butyl-5-ethoxy-2,3-dihydro-1H-indole.
Chemical Property Profile of 2-(tert-Butyl)-5-ethoxyindoline
Property Insights of 2-(tert-Butyl)-5-ethoxyindoline
The XLogP value of 3.468 indicates that 2-(tert-Butyl)-5-ethoxyindoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, 2-(tert-Butyl)-5-ethoxyindoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(tert-Butyl)-5-ethoxyindoline 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 2-(tert-Butyl)-5-ethoxyindoline?
The CAS number of 2-(tert-Butyl)-5-ethoxyindoline is 595547-06-1.
What is the molecular formula of 2-(tert-Butyl)-5-ethoxyindoline?
The molecular formula of 2-(tert-Butyl)-5-ethoxyindoline is C14H21NO.
What is the molecular weight of 2-(tert-Butyl)-5-ethoxyindoline?
The molecular weight of 2-(tert-Butyl)-5-ethoxyindoline is 219.16 g/mol.
Where can I buy 2-(tert-Butyl)-5-ethoxyindoline?
You can request a quote for 2-(tert-Butyl)-5-ethoxyindoline 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-ethoxyindoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Butyl)-5-ethoxyindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.