1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone
TL;DR: 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone (CAS 55895-80-2) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
Also Known As: 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone, 3-acetyl-2-methyl-5-methoxyindole, 1-(5-methoxy-2-methyl-1H-indol-3-yl)ethan-1-one, 1-(5-methoxy-2-methyl-lH-indol-3-yl)ethanone, 1-(5-methoxy-2-methyl-1H-indol-3- yl)ethanone
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 55895-80-2 |
|---|---|
| SMILES | CC1=C(C2=C(N1)C=CC(=C2)OC)C(=O)C |
| InChIKey | PLKHPGZPVMZOQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone (CAS 55895-80-2), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 1-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone.
Chemical Property Profile of 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone
Property Insights of 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone. With a topological polar surface area (TPSA) of 42.1 Ų, 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone 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 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone?
The CAS number of 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone is 55895-80-2.
What is the molecular formula of 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone?
The molecular formula of 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone is C12H13NO2.
What is the molecular weight of 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone?
The molecular weight of 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone is 203.09 g/mol.
Where can I buy 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone?
You can request a quote for 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Methoxy-2-methyl-1H-indol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.