![3-[(4-Methylphenyl)methylidene]pentane-2,4-dione structure](/static/products/1581/15818-09-4.webp)
3-[(4-Methylphenyl)methylidene]pentane-2,4-dione
TL;DR: 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione (CAS 15818-09-4) is a chemical compound with molecular formula C13H14O2 and molecular weight 202.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-methylphenyl)methylidene]pentane-2,4-dione
Also Known As: 3-[(4-methylphenyl)methylidene]pentane-2,4-dione, 3-(4-Methylbenzylidene)-2,4-pentanedione, 3-(4-Methylbenzylidene)pentane-2,4-dione, 2,4-Pentanedione,3-[(4-methylphenyl)methylene]-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H14O2 |
| Molecular Weight | 202.09938 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.09938 Da |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
| SMILES | CC1=CC=C(C=C1)C=C(C(=O)C)C(=O)C |
| InChIKey | MWWKEDDFUHGKIP-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione
Property Insights of 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione 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 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione?
The CAS number of 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione is 15818-09-4.
What is the molecular formula of 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione?
The molecular formula of 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione is C13H14O2.
What is the molecular weight of 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione?
The molecular weight of 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione is 202.09938 g/mol.
Where can I buy 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione?
You can request a quote for 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione?
Yes, CoreyChem provides custom synthesis services for 3-[(4-Methylphenyl)methylidene]pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.