2-Ethyl-3,3-dimethyl-3H-indole
TL;DR: 2-Ethyl-3,3-dimethyl-3H-indole (CAS 18781-53-8) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-3,3-dimethylindole
Also Known As: 2-Ethyl-3,3-dimethyl-3H-indole, 2-ethyl-3,3-dimethylindole, 3H-Indole, 2-ethyl-3,3-dimethyl-, 2-Ethyl-3,3-dimethyl-3H-indole #, RefChem:260505
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 18781-53-8 |
|---|---|
| SMILES | CCC1=NC2=CC=CC=C2C1(C)C |
| InChIKey | YIAAFAZCAVDTRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-3,3-dimethyl-3H-indole (CAS 18781-53-8), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 2-ethyl-3,3-dimethylindole.
Chemical Property Profile of 2-Ethyl-3,3-dimethyl-3H-indole
Property Insights of 2-Ethyl-3,3-dimethyl-3H-indole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-3,3-dimethyl-3H-indole. With a topological polar surface area (TPSA) of 12.4 Ų, 2-Ethyl-3,3-dimethyl-3H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-3,3-dimethyl-3H-indole has 0 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-Ethyl-3,3-dimethyl-3H-indole?
The CAS number of 2-Ethyl-3,3-dimethyl-3H-indole is 18781-53-8.
What is the molecular formula of 2-Ethyl-3,3-dimethyl-3H-indole?
The molecular formula of 2-Ethyl-3,3-dimethyl-3H-indole is C12H15N.
What is the molecular weight of 2-Ethyl-3,3-dimethyl-3H-indole?
The molecular weight of 2-Ethyl-3,3-dimethyl-3H-indole is 173.12 g/mol.
Where can I buy 2-Ethyl-3,3-dimethyl-3H-indole?
You can request a quote for 2-Ethyl-3,3-dimethyl-3H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-3,3-dimethyl-3H-indole?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-3,3-dimethyl-3H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.