2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole
TL;DR: 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole (CAS 81558-23-8) is a chemical compound with molecular formula C12H12F3N and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,3-trimethyl-6-(trifluoromethyl)indole
Also Known As: 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole, 2,3,3-trimethyl-6-(trifluoromethyl)indole
| Molecular Formula | C12H12F3N |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 4.089 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.09218 |
| Heavy Atoms | 16 |
| Complexity | 469.6425 |
Chemical Identifiers
| CAS Number | 81558-23-8 |
|---|---|
| SMILES | CC1=NC2=C(C1(C)C)C=CC(=C2)C(F)(F)F |
Product Overview
2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole (CAS 81558-23-8), with molecular formula C12H12F3N and molecular weight 227.09 g/mol. IUPAC: 2,3,3-trimethyl-6-(trifluoromethyl)indole.
Chemical Property Profile of 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole
Property Insights of 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole
The XLogP value of 4.089 indicates that 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole has 0 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 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole?
The CAS number of 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole is 81558-23-8.
What is the molecular formula of 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole?
The molecular formula of 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole is C12H12F3N.
What is the molecular weight of 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole?
The molecular weight of 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole is 227.09 g/mol.
Where can I buy 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole?
You can request a quote for 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole?
Yes, KEHONG BIO provides custom synthesis services for 2,3,3-trimethyl-6-(trifluoromethyl)-3H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.