1,3-Indandione, 2-ethyl-2-methyl-
TL;DR: 1,3-Indandione, 2-ethyl-2-methyl- (CAS 70292-52-3) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-methylindene-1,3-dione
Also Known As: 2-Ethyl-2-methyl-1,3-indandione, 1,3-Indandione, 2-ethyl-2-methyl-, 2-ethyl-2-methylindene-1,3-dione, 1H-Indene-1,3(2H)-dione, 2-ethyl-2-methyl-, 2-Ethyl-2-methyl-1H-indene-1,3(2H)-dione
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 70292-52-3 |
|---|---|
| SMILES | CCC1(C(=O)C2=CC=CC=C2C1=O)C |
| InChIKey | GMABAYKYOVAXTD-UHFFFAOYSA-N |
Product Overview
1,3-Indandione, 2-ethyl-2-methyl- (CAS 70292-52-3), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: 2-ethyl-2-methylindene-1,3-dione.
Chemical Property Profile of 1,3-Indandione, 2-ethyl-2-methyl-
Property Insights of 1,3-Indandione, 2-ethyl-2-methyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Indandione, 2-ethyl-2-methyl-. With a topological polar surface area (TPSA) of 34.1 Ų, 1,3-Indandione, 2-ethyl-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Indandione, 2-ethyl-2-methyl- has 0 hydrogen bond donor(s) and 2 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 1,3-Indandione, 2-ethyl-2-methyl-?
The CAS number of 1,3-Indandione, 2-ethyl-2-methyl- is 70292-52-3.
What is the molecular formula of 1,3-Indandione, 2-ethyl-2-methyl-?
The molecular formula of 1,3-Indandione, 2-ethyl-2-methyl- is C12H12O2.
What is the molecular weight of 1,3-Indandione, 2-ethyl-2-methyl-?
The molecular weight of 1,3-Indandione, 2-ethyl-2-methyl- is 188.08 g/mol.
Where can I buy 1,3-Indandione, 2-ethyl-2-methyl-?
You can request a quote for 1,3-Indandione, 2-ethyl-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Indandione, 2-ethyl-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Indandione, 2-ethyl-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.