2-(3-methyl-1H-indol-1-yl)-1-phenylethanone
TL;DR: 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone (CAS 80884-56-6) is a chemical compound with molecular formula C17H15NO and molecular weight 249.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylindol-1-yl)-1-phenylethanone
Also Known As: phenacylskatole, 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone, 2-(3-methylindol-1-yl)-1-phenylethanone, 2-(3-methyl-1H-indol-1-yl)-1-phenylethan-1-one, 2-(3-Methyl-indol-1-yl)-1-phenyl-ethanone
| Molecular Formula | C17H15NO |
|---|---|
| Molecular Weight | 249.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.11537 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 80884-56-6 |
|---|---|
| SMILES | CC1=CN(C2=CC=CC=C12)CC(=O)C3=CC=CC=C3 |
| InChIKey | GHOPHUHSHPHZKV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-methyl-1H-indol-1-yl)-1-phenylethanone (CAS 80884-56-6), with molecular formula C17H15NO and molecular weight 249.12 g/mol. IUPAC: 2-(3-methylindol-1-yl)-1-phenylethanone.
Chemical Property Profile of 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone
Property Insights of 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone
The XLogP value of 3.9 indicates that 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone 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-(3-methyl-1H-indol-1-yl)-1-phenylethanone?
The CAS number of 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone is 80884-56-6.
What is the molecular formula of 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone?
The molecular formula of 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone is C17H15NO.
What is the molecular weight of 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone?
The molecular weight of 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone is 249.12 g/mol.
Where can I buy 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone?
You can request a quote for 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-methyl-1H-indol-1-yl)-1-phenylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.