2-Acetyl-1H-indene-1,3(2H)-dione
TL;DR: 2-Acetyl-1H-indene-1,3(2H)-dione (CAS 1133-72-8) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetylindene-1,3-dione
Also Known As: 2-Acetyl-1H-indene-1,3(2H)-dione, 2-acetylindene-1,3-dione, 2-Acetyl-1,3-indanedione, 1,3-Indandione, 2-acetyl-, 2-Acetyl-1,3-indandione
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.04735 |
| Heavy Atoms | 14 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 1133-72-8 |
|---|---|
| SMILES | CC(=O)C1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | SGLKFWMIZOJHCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetyl-1H-indene-1,3(2H)-dione (CAS 1133-72-8), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: 2-acetylindene-1,3-dione.
Chemical Property Profile of 2-Acetyl-1H-indene-1,3(2H)-dione
Property Insights of 2-Acetyl-1H-indene-1,3(2H)-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-1H-indene-1,3(2H)-dione. With a topological polar surface area (TPSA) of 51.2 Ų, 2-Acetyl-1H-indene-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-1H-indene-1,3(2H)-dione has 0 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 2-Acetyl-1H-indene-1,3(2H)-dione?
The CAS number of 2-Acetyl-1H-indene-1,3(2H)-dione is 1133-72-8.
What is the molecular formula of 2-Acetyl-1H-indene-1,3(2H)-dione?
The molecular formula of 2-Acetyl-1H-indene-1,3(2H)-dione is C11H8O3.
What is the molecular weight of 2-Acetyl-1H-indene-1,3(2H)-dione?
The molecular weight of 2-Acetyl-1H-indene-1,3(2H)-dione is 188.05 g/mol.
Where can I buy 2-Acetyl-1H-indene-1,3(2H)-dione?
You can request a quote for 2-Acetyl-1H-indene-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-1H-indene-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-1H-indene-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.