5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)indoline
TL;DR: 5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)indoline (CAS 594820-54-9) is a chemical compound with molecular formula C20H25NO2 and molecular weight 311.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-indole
Also Known As: 5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)indoline, 2-(3,4-dimethoxyphenyl)-5-tert-butyl-2,3-dihydro-1H-indole, 5-tert-butyl-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-indole
| Molecular Formula | C20H25NO2 |
|---|---|
| Molecular Weight | 311.19 g/mol |
| LogP | 4.7106 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.18854 |
| Heavy Atoms | 23 |
| Complexity | 716.067 |
Chemical Identifiers
| CAS Number | 594820-54-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)NC(C2)C3=CC(=C(C=C3)OC)OC |
Product Overview
5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)indoline (CAS 594820-54-9), with molecular formula C20H25NO2 and molecular weight 311.19 g/mol. IUPAC: 5-tert-butyl-2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-indole.
Chemical Property Profile of 5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)indoline
Property Insights of 5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)indoline
The XLogP value of 4.7106 indicates that 5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)indoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.49 Ų, 5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)indoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)indoline has 1 hydrogen bond donor(s) and 3 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-dimethoxyphenyl)indoline?
The CAS number of 5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)indoline is 594820-54-9.
What is the molecular formula of 5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)indoline?
The molecular formula of 5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)indoline is C20H25NO2.
What is the molecular weight of 5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)indoline?
The molecular weight of 5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)indoline is 311.19 g/mol.
Where can I buy 5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)indoline?
You can request a quote for 5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)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-dimethoxyphenyl)indoline?
Yes, KEHONG BIO provides custom synthesis services for 5-(tert-Butyl)-2-(3,4-dimethoxyphenyl)indoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.