5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline
TL;DR: 5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline (CAS 594820-52-7) is a chemical compound with molecular formula C18H19F2N and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-(3,4-difluorophenyl)-2,3-dihydro-1H-indole
Also Known As: 5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline, 2-(3,4-difluorophenyl)-5-tert-butyl-2,3-dihydro-1H-indole, 5-tert-butyl-2-(3,4-difluorophenyl)-2,3-dihydro-1H-indole
| Molecular Formula | C18H19F2N |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 4.9716 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 287.14856 |
| Heavy Atoms | 21 |
| Complexity | 686.1031 |
Chemical Identifiers
| CAS Number | 594820-52-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)NC(C2)C3=CC(=C(C=C3)F)F |
Product Overview
5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline (CAS 594820-52-7), with molecular formula C18H19F2N and molecular weight 287.15 g/mol. IUPAC: 5-tert-butyl-2-(3,4-difluorophenyl)-2,3-dihydro-1H-indole.
Chemical Property Profile of 5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline
Property Insights of 5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline
The XLogP value of 4.9716 indicates that 5-(tert-Butyl)-2-(3,4-difluorophenyl)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, 5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(tert-Butyl)-2-(3,4-difluorophenyl)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 5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline?
The CAS number of 5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline is 594820-52-7.
What is the molecular formula of 5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline?
The molecular formula of 5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline is C18H19F2N.
What is the molecular weight of 5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline?
The molecular weight of 5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline is 287.15 g/mol.
Where can I buy 5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline?
You can request a quote for 5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline?
Yes, KEHONG BIO provides custom synthesis services for 5-(tert-Butyl)-2-(3,4-difluorophenyl)indoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.