1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)-
TL;DR: 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)- (CAS 91165-26-3) is a chemical compound with molecular formula C13H12O3 and molecular weight 216.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-(2-oxopropyl)indene-1,3-dione
Also Known As: 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)-, 2-acetonyl-2-methyl-indan-1,3-dione, 2-methyl-2-(2-oxopropyl)-1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)indene-1,3-dione, 2-Methyl-2-(2-oxo-propyl)-indan-1,3-dione
| Molecular Formula | C13H12O3 |
|---|---|
| Molecular Weight | 216.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.07864 |
| Heavy Atoms | 16 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 91165-26-3 |
|---|---|
| SMILES | CC(=O)CC1(C(=O)C2=CC=CC=C2C1=O)C |
| InChIKey | SGDHEGYYHBHDKC-UHFFFAOYSA-N |
Product Overview
1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)- (CAS 91165-26-3), with molecular formula C13H12O3 and molecular weight 216.08 g/mol. IUPAC: 2-methyl-2-(2-oxopropyl)indene-1,3-dione.
Chemical Property Profile of 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)-
Property Insights of 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)-. With a topological polar surface area (TPSA) of 51.2 Ų, 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)- 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 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)-?
The CAS number of 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)- is 91165-26-3.
What is the molecular formula of 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)-?
The molecular formula of 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)- is C13H12O3.
What is the molecular weight of 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)-?
The molecular weight of 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)- is 216.08 g/mol.
Where can I buy 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)-?
You can request a quote for 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-indene-1,3(2H)-dione, 2-methyl-2-(2-oxopropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.