2-(tert-Butyl)-5-fluoro-1H-indole
TL;DR: 2-(tert-Butyl)-5-fluoro-1H-indole (CAS 900640-44-0) is a chemical compound with molecular formula C12H14FN and molecular weight 191.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-fluoro-1H-indole
Also Known As: 2-(tert-Butyl)-5-fluoro-1H-indole, 2-tert-butyl-5-fluoro-1H-indole
| Molecular Formula | C12H14FN |
|---|---|
| Molecular Weight | 191.11 g/mol |
| LogP | 3.6045 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.11102 |
| Heavy Atoms | 14 |
| Complexity | 462.61673 |
Chemical Identifiers
| CAS Number | 900640-44-0 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(N1)C=CC(=C2)F |
Product Overview
2-(tert-Butyl)-5-fluoro-1H-indole (CAS 900640-44-0), with molecular formula C12H14FN and molecular weight 191.11 g/mol. IUPAC: 2-tert-butyl-5-fluoro-1H-indole.
Chemical Property Profile of 2-(tert-Butyl)-5-fluoro-1H-indole
Property Insights of 2-(tert-Butyl)-5-fluoro-1H-indole
The XLogP value of 3.6045 indicates that 2-(tert-Butyl)-5-fluoro-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-fluoro-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(tert-Butyl)-5-fluoro-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-fluoro-1H-indole?
The CAS number of 2-(tert-Butyl)-5-fluoro-1H-indole is 900640-44-0.
What is the molecular formula of 2-(tert-Butyl)-5-fluoro-1H-indole?
The molecular formula of 2-(tert-Butyl)-5-fluoro-1H-indole is C12H14FN.
What is the molecular weight of 2-(tert-Butyl)-5-fluoro-1H-indole?
The molecular weight of 2-(tert-Butyl)-5-fluoro-1H-indole is 191.11 g/mol.
Where can I buy 2-(tert-Butyl)-5-fluoro-1H-indole?
You can request a quote for 2-(tert-Butyl)-5-fluoro-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-fluoro-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Butyl)-5-fluoro-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.