![3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione structure](/static/products/1577/15777-43-2.webp)
3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione
TL;DR: 3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione (CAS 15777-43-2) is a chemical compound with molecular formula C12H11ClO2 and molecular weight 222.04475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2-chlorophenyl)methylidene]pentane-2,4-dione
Also Known As: 3-[(2-chlorophenyl)methylidene]pentane-2,4-dione, 3-(2-chlorobenzylidene)pentane-2,4-dione, 3-acetyl-4-(2-chlorophenyl)-3-buten-2-one, 3-(2-chlorobenzylidene)-2,4-pentanedione, 3-<2-Chlor-benzyliden>-pentan-2,4-dion
Technical Specifications
| Molecular Formula | C12H11ClO2 |
| Molecular Weight | 222.04475 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.04475 Da |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
| SMILES | CC(=O)C(=CC1=CC=CC=C1Cl)C(=O)C |
| InChIKey | ACSGABXXWIOMRC-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione
Property Insights of 3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2-Chlorophenyl)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-[(2-Chlorophenyl)methylidene]pentane-2,4-dione?
The CAS number of 3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione is 15777-43-2.
What is the molecular formula of 3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione?
The molecular formula of 3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione is C12H11ClO2.
What is the molecular weight of 3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione?
The molecular weight of 3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione is 222.04475 g/mol.
Where can I buy 3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione?
You can request a quote for 3-[(2-Chlorophenyl)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-[(2-Chlorophenyl)methylidene]pentane-2,4-dione?
Yes, CoreyChem provides custom synthesis services for 3-[(2-Chlorophenyl)methylidene]pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.