Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)-
TL;DR: Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)- (CAS 5471-73-8) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1H-indol-3-yl)-2-oxoethyl] acetate
Also Known As: 3-Acetoxyacylindole, 3-acetoxyacetylindole, 2-(1H-Indol-3-yl)-2-oxoethyl acetate, Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)-, 2-(Acetyloxy)-1-(1H-indol-3-yl)ethanone
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 5471-73-8 |
|---|---|
| SMILES | CC(=O)OCC(=O)C1=CNC2=CC=CC=C21 |
| InChIKey | PKWIQNMYISXPPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)- (CAS 5471-73-8), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: [2-(1H-indol-3-yl)-2-oxoethyl] acetate.
Chemical Property Profile of Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)-
Property Insights of Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)-. With a topological polar surface area (TPSA) of 59.2 Ų, Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)- has 1 hydrogen bond donor(s) and 3 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 Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)-?
The CAS number of Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)- is 5471-73-8.
What is the molecular formula of Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)-?
The molecular formula of Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)- is C12H11NO3.
What is the molecular weight of Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)-?
The molecular weight of Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)- is 217.07 g/mol.
Where can I buy Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)-?
You can request a quote for Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.