![3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione structure](/static/products/1307/130745-77-6.webp)
3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione
TL;DR: 3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione (CAS 130745-77-6) is a chemical compound with molecular formula C19H18Cl2O2 and molecular weight 348.0684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-bis[(4-chlorophenyl)methyl]pentane-2,4-dione
Also Known As: 3,3-Bis(4-chlorobenzyl)-2,4-pentanedione, 3,3-Bis(4-chlorobenzyl)pentane-2,4-dione, chlorobenzylpentanedione, 3,3-bis[(4-chlorophenyl)methyl]pentane-2,4-dione, 3605AD
Technical Specifications
| Molecular Formula | C19H18Cl2O2 |
| Molecular Weight | 348.0684 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.0684 Da |
| Heavy Atoms | 23 |
| Complexity | 379.0 |
| SMILES | CC(=O)C(CC1=CC=C(C=C1)Cl)(CC2=CC=C(C=C2)Cl)C(=O)C |
| InChIKey | BWARYGHRIRQXMS-UHFFFAOYSA-N |
Chemical Property Profile of 3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione
Property Insights of 3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione
The XLogP value of 4.8 indicates that 3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Bis[(4-chlorophenyl)methyl]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 3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione?
The CAS number of 3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione is 130745-77-6.
What is the molecular formula of 3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione?
The molecular formula of 3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione is C19H18Cl2O2.
What is the molecular weight of 3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione?
The molecular weight of 3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione is 348.0684 g/mol.
Where can I buy 3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione?
You can request a quote for 3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione?
Yes, CoreyChem provides custom synthesis services for 3,3-Bis[(4-chlorophenyl)methyl]pentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.