![2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine structure](/static/products/866/866136-55-2.png)
2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine
TL;DR: 2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine (CAS 866136-55-2) is a chemical compound with molecular formula C19H19F3N2 and molecular weight 332.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine
Also Known As: 8P-324S, 2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine, 2-tert-butyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine, 2-tert-butyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridine
| Molecular Formula | C19H19F3N2 |
|---|---|
| Molecular Weight | 332.15 g/mol |
| LogP | 5.4009 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.15002 |
| Heavy Atoms | 24 |
| Complexity | 870.1847 |
Chemical Identifiers
| CAS Number | 866136-55-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(N1CC3=CC(=CC=C3)C(F)(F)F)N=CC=C2 |
Product Overview
2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine (CAS 866136-55-2), with molecular formula C19H19F3N2 and molecular weight 332.15 g/mol. IUPAC: 2-tert-butyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine.
Chemical Property Profile of 2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine
Property Insights of 2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine
The XLogP value of 5.4009 indicates that 2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine?
The CAS number of 2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine is 866136-55-2.
What is the molecular formula of 2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine?
The molecular formula of 2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine is C19H19F3N2.
What is the molecular weight of 2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine?
The molecular weight of 2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine is 332.15 g/mol.
Where can I buy 2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine?
You can request a quote for 2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine 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)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-butyl)-1-[3-(trifluoromethyl)benzyl]-1H-pyrrolo[2,3-b]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.