6-Ethoxy-3,3-dimethylindoline
TL;DR: 6-Ethoxy-3,3-dimethylindoline (CAS 87234-87-5) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethoxy-3,3-dimethyl-1,2-dihydroindole
Also Known As: 6-Ethoxy-3,3-dimethylindoline, 3,3-dimethyl-6-ethoxy-indoline, 6-ethoxy-3,3-dimethyl-1,2-dihydroindole, 1H-Indole, 6-ethoxy-2,3-dihydro-3,3-dimethyl-, 6-Ethoxy-2,3-dihydro-3,3-dimethyl-1H-indole
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 87234-87-5 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)C(CN2)(C)C |
| InChIKey | ITLRQEKXUKZTPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Ethoxy-3,3-dimethylindoline (CAS 87234-87-5), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 6-ethoxy-3,3-dimethyl-1,2-dihydroindole.
Chemical Property Profile of 6-Ethoxy-3,3-dimethylindoline
Property Insights of 6-Ethoxy-3,3-dimethylindoline
The XLogP value of 3.2 indicates that 6-Ethoxy-3,3-dimethylindoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, 6-Ethoxy-3,3-dimethylindoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ethoxy-3,3-dimethylindoline has 1 hydrogen bond donor(s) and 2 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 6-Ethoxy-3,3-dimethylindoline?
The CAS number of 6-Ethoxy-3,3-dimethylindoline is 87234-87-5.
What is the molecular formula of 6-Ethoxy-3,3-dimethylindoline?
The molecular formula of 6-Ethoxy-3,3-dimethylindoline is C12H17NO.
What is the molecular weight of 6-Ethoxy-3,3-dimethylindoline?
The molecular weight of 6-Ethoxy-3,3-dimethylindoline is 191.13 g/mol.
Where can I buy 6-Ethoxy-3,3-dimethylindoline?
You can request a quote for 6-Ethoxy-3,3-dimethylindoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Ethoxy-3,3-dimethylindoline?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethoxy-3,3-dimethylindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.