2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione
TL;DR: 2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione (CAS 113844-57-8) is a chemical compound with molecular formula C13H10O4 and molecular weight 230.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-oxobutanoyl)indene-1,3-dione
Also Known As: 2-(3-oxobutanoyl)indene-1,3-dione, 2-(3-oxobutanoyl)-1h-indene-1,3(2h)-dione, 1,4-Bis-(5-phenyl-1,3,5-triketopentyl)-benzol, 1H-Indene-1,3(2H)-dione,2-(1,3-dioxobutyl)-
Technical Specifications
| Molecular Formula | C13H10O4 |
| Molecular Weight | 230.0579 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.0579 Da |
| Heavy Atoms | 17 |
| Complexity | 372.0 |
| SMILES | CC(=O)CC(=O)C1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | YJWDIKOFEFCHJX-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione
Property Insights of 2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione. Following Lipinski's Rule of Five, 2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione?
The CAS number of 2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione is 113844-57-8.
What is the molecular formula of 2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione?
The molecular formula of 2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione is C13H10O4.
What is the molecular weight of 2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione?
The molecular weight of 2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione is 230.0579 g/mol.
Where can I buy 2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione?
You can request a quote for 2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione?
Yes, CoreyChem provides custom synthesis services for 2-(3-Oxobutanoyl)-1h-indene-1,3(2h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.