2-(tert-Butyl)-5-chloro-7-methylindoline
TL;DR: 2-(tert-Butyl)-5-chloro-7-methylindoline (CAS 596083-18-0) is a chemical compound with molecular formula C13H18ClN and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-chloro-7-methyl-2,3-dihydro-1H-indole
Also Known As: 2-(tert-Butyl)-5-chloro-7-methylindoline, 2-tert-butyl-5-chloro-7-methyl-2,3-dihydro-1H-indole, 5-chloro-7-methyl-2-tert-butyl-2,3-dihydro-1H-indole, 1H-INDOLE, 5-CHLORO-2-(1,1-DIMETHYLETHYL)-2,3-DIHYDRO-7-METHYL-, 1H-Indole, 5-chloro-2-(1,1-dimethylethyl)-2,3-dihydro-7-methyl- (9CI)
| Molecular Formula | C13H18ClN |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | 4.03112 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.11278 |
| Heavy Atoms | 15 |
| Complexity | 390.2578 |
Chemical Identifiers
| CAS Number | 596083-18-0 |
|---|---|
| SMILES | CC1=CC(=CC2=C1NC(C2)C(C)(C)C)Cl |
Product Overview
2-(tert-Butyl)-5-chloro-7-methylindoline (CAS 596083-18-0), with molecular formula C13H18ClN and molecular weight 223.11 g/mol. IUPAC: 2-tert-butyl-5-chloro-7-methyl-2,3-dihydro-1H-indole.
Chemical Property Profile of 2-(tert-Butyl)-5-chloro-7-methylindoline
Property Insights of 2-(tert-Butyl)-5-chloro-7-methylindoline
The XLogP value of 4.03112 indicates that 2-(tert-Butyl)-5-chloro-7-methylindoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 2-(tert-Butyl)-5-chloro-7-methylindoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(tert-Butyl)-5-chloro-7-methylindoline 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 2-(tert-Butyl)-5-chloro-7-methylindoline?
The CAS number of 2-(tert-Butyl)-5-chloro-7-methylindoline is 596083-18-0.
What is the molecular formula of 2-(tert-Butyl)-5-chloro-7-methylindoline?
The molecular formula of 2-(tert-Butyl)-5-chloro-7-methylindoline is C13H18ClN.
What is the molecular weight of 2-(tert-Butyl)-5-chloro-7-methylindoline?
The molecular weight of 2-(tert-Butyl)-5-chloro-7-methylindoline is 223.11 g/mol.
Where can I buy 2-(tert-Butyl)-5-chloro-7-methylindoline?
You can request a quote for 2-(tert-Butyl)-5-chloro-7-methylindoline 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-chloro-7-methylindoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Butyl)-5-chloro-7-methylindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.