2-(tert-Butyl)indoline
TL;DR: 2-(tert-Butyl)indoline (CAS 54856-58-5) is a chemical compound with molecular formula C12H17N and molecular weight 175.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-2,3-dihydro-1H-indole
Also Known As: 2-(tert-Butyl)indoline, 2-tert-butylindoline, 2-t-Butylindoline, 2-tert-butyl-2,3-dihydro-1H-indole
| Molecular Formula | C12H17N |
|---|---|
| Molecular Weight | 175.14 g/mol |
| LogP | 3.0693 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.1361 |
| Heavy Atoms | 13 |
| Complexity | 284.14566 |
Chemical Identifiers
| CAS Number | 54856-58-5 |
|---|---|
| SMILES | CC(C)(C)C1CC2=CC=CC=C2N1 |
Product Overview
2-(tert-Butyl)indoline (CAS 54856-58-5), with molecular formula C12H17N and molecular weight 175.14 g/mol. IUPAC: 2-tert-butyl-2,3-dihydro-1H-indole.
Chemical Property Profile of 2-(tert-Butyl)indoline
Property Insights of 2-(tert-Butyl)indoline
The XLogP value of 3.0693 indicates that 2-(tert-Butyl)indoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 2-(tert-Butyl)indoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(tert-Butyl)indoline 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-(tert-Butyl)indoline?
The CAS number of 2-(tert-Butyl)indoline is 54856-58-5.
What is the molecular formula of 2-(tert-Butyl)indoline?
The molecular formula of 2-(tert-Butyl)indoline is C12H17N.
What is the molecular weight of 2-(tert-Butyl)indoline?
The molecular weight of 2-(tert-Butyl)indoline is 175.14 g/mol.
Where can I buy 2-(tert-Butyl)indoline?
You can request a quote for 2-(tert-Butyl)indoline 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)indoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Butyl)indoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.