3-Acetylindole
TL;DR: 3-Acetylindole (CAS 703-80-0) is a chemical compound with molecular formula C10H9NO and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-indol-3-yl)ethanone
Also Known As: 3-Acetylindole, 1-(1H-Indol-3-yl)ethanone, 3-Acetyl-1H-indole, Acetyl-3-indole, 3-acetyl indole
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 703-80-0 |
|---|---|
| SMILES | CC(=O)C1=CNC2=CC=CC=C21 |
| InChIKey | VUIMBZIZZFSQEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Acetylindole (CAS 703-80-0), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: 1-(1H-indol-3-yl)ethanone.
Chemical Property Profile of 3-Acetylindole
Property Insights of 3-Acetylindole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetylindole. With a topological polar surface area (TPSA) of 32.9 Ų, 3-Acetylindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetylindole 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-Acetylindole?
The CAS number of 3-Acetylindole is 703-80-0.
What is the molecular formula of 3-Acetylindole?
The molecular formula of 3-Acetylindole is C10H9NO.
What is the molecular weight of 3-Acetylindole?
The molecular weight of 3-Acetylindole is 159.07 g/mol.
Where can I buy 3-Acetylindole?
You can request a quote for 3-Acetylindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetylindole?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetylindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.