3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione
TL;DR: 3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione (CAS 117778-31-1) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(5-methylfuran-2-yl)methylidene]pentane-2,4-dione
Also Known As: 3-[(5-methyl-2-furyl)methylene]pentane-2,4-dione, 3-[(5-methylfuran-2-yl)methylidene]pentane-2,4-dione, 3-[(5-methyl-2-furyl)methylidene]pentane-2,4-dione, 3-((5-METHYL-2-FURYL)METHYLENE)-2,4-PENTANEDIONE
Technical Specifications
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.07864 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.07864 Da |
| Heavy Atoms | 14 |
| Complexity | 262.0 |
| SMILES | CC1=CC=C(O1)C=C(C(=O)C)C(=O)C |
| InChIKey | XMPIGMOARWQCRI-UHFFFAOYSA-N |
Chemical Property Profile of 3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione
Property Insights of 3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione. With a topological polar surface area (TPSA) of 47.3 Ų, 3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione 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
What is the CAS number of 3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione?
The CAS number of 3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione is 117778-31-1.
What is the molecular formula of 3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione?
The molecular formula of 3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione is C11H12O3.
What is the molecular weight of 3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione?
The molecular weight of 3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione is 192.07864 g/mol.
Where can I buy 3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione?
You can request a quote for 3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione?
Yes, CoreyChem provides custom synthesis services for 3-((5-Methyl-2-furyl)methylene)-2,4-pentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.