3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one
TL;DR: 3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one (CAS 6116-76-3) is a chemical compound with molecular formula C11H15NO and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one
Also Known As: 3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one, 3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one, 3-Ethyl-2-methyl-6,7-dihydro-1H-indol-4(5H)-one, 3-Ethyl-1,5,6,7-tetrahydro-2-methyl-4H-indol-4-one, 3-ethyl-2-methyl-1,5,6,7-tetrahydro-4h-indol-4-one
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 6116-76-3 |
|---|---|
| SMILES | CCC1=C(NC2=C1C(=O)CCC2)C |
| InChIKey | RZUQNFAPFIHYCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one (CAS 6116-76-3), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: 3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one.
Chemical Property Profile of 3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one
Property Insights of 3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one. With a topological polar surface area (TPSA) of 32.9 Ų, 3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one 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 3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one?
The CAS number of 3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one is 6116-76-3.
What is the molecular formula of 3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one?
The molecular formula of 3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one is C11H15NO.
What is the molecular weight of 3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one?
The molecular weight of 3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one is 177.12 g/mol.
Where can I buy 3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one?
You can request a quote for 3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one 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-methyl-4,5,6,7-tetrahydroindol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.