3-Ethyl-2,3-dimethyl-3H-indole
TL;DR: 3-Ethyl-2,3-dimethyl-3H-indole (CAS 1798-39-6) 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.
3-ethyl-2,3-dimethylindole
Also Known As: 3-ethyl-2,3-dimethylindole, 3-Ethyl-2,3-dimethyl-3H-indole, 2,3-dimethyl-3-ethyl-3H-indole, 3H-Indole, 3-ethyl-2,3-dimethyl-, 3-Ethyl-2,3-dimethyl-3H-indole #
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 2.6 |
| 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 | 231.0 |
Chemical Identifiers
| CAS Number | 1798-39-6 |
|---|---|
| SMILES | CCC1(C(=NC2=CC=CC=C21)C)C |
| InChIKey | LVCJOTSREMDVNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-2,3-dimethyl-3H-indole (CAS 1798-39-6), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 3-ethyl-2,3-dimethylindole.
Chemical Property Profile of 3-Ethyl-2,3-dimethyl-3H-indole
Property Insights of 3-Ethyl-2,3-dimethyl-3H-indole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-2,3-dimethyl-3H-indole. With a topological polar surface area (TPSA) of 12.4 Ų, 3-Ethyl-2,3-dimethyl-3H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2,3-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 3-Ethyl-2,3-dimethyl-3H-indole?
The CAS number of 3-Ethyl-2,3-dimethyl-3H-indole is 1798-39-6.
What is the molecular formula of 3-Ethyl-2,3-dimethyl-3H-indole?
The molecular formula of 3-Ethyl-2,3-dimethyl-3H-indole is C12H15N.
What is the molecular weight of 3-Ethyl-2,3-dimethyl-3H-indole?
The molecular weight of 3-Ethyl-2,3-dimethyl-3H-indole is 173.12 g/mol.
Where can I buy 3-Ethyl-2,3-dimethyl-3H-indole?
You can request a quote for 3-Ethyl-2,3-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 3-Ethyl-2,3-dimethyl-3H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2,3-dimethyl-3H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.