1,3-Pentanedione, 2-methyl-1-phenyl-
TL;DR: 1,3-Pentanedione, 2-methyl-1-phenyl- (CAS 13618-19-4) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-1-phenylpentane-1,3-dione
Also Known As: 2-benzoyl-3-pentanone, 2-methyl-1-phenylpentane-1,3-dione, 1,3-Pentanedione, 2-methyl-1-phenyl-, 1-phenyl-2-methyl-1,3-pentanedione, alpha-Methyl-beta-oxovalerophenone
Technical Specifications
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.09938 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.09938 Da |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
| SMILES | CCC(=O)C(C)C(=O)C1=CC=CC=C1 |
| InChIKey | IOVXGSSKIMPLTN-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Pentanedione, 2-methyl-1-phenyl-
Property Insights of 1,3-Pentanedione, 2-methyl-1-phenyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Pentanedione, 2-methyl-1-phenyl-. With a topological polar surface area (TPSA) of 34.1 Ų, 1,3-Pentanedione, 2-methyl-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Pentanedione, 2-methyl-1-phenyl- 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
What is the CAS number of 1,3-Pentanedione, 2-methyl-1-phenyl-?
The CAS number of 1,3-Pentanedione, 2-methyl-1-phenyl- is 13618-19-4.
What is the molecular formula of 1,3-Pentanedione, 2-methyl-1-phenyl-?
The molecular formula of 1,3-Pentanedione, 2-methyl-1-phenyl- is C12H14O2.
What is the molecular weight of 1,3-Pentanedione, 2-methyl-1-phenyl-?
The molecular weight of 1,3-Pentanedione, 2-methyl-1-phenyl- is 190.09938 g/mol.
Where can I buy 1,3-Pentanedione, 2-methyl-1-phenyl-?
You can request a quote for 1,3-Pentanedione, 2-methyl-1-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Pentanedione, 2-methyl-1-phenyl-?
Yes, CoreyChem provides custom synthesis services for 1,3-Pentanedione, 2-methyl-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.