5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid
TL;DR: 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid (CAS 845781-43-3) is a chemical compound with molecular formula C12H12F2O3 and molecular weight 242.07545 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3,4-difluorophenyl)-3-methyl-5-oxopentanoic acid
Also Known As: 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid, 5-(3,4-difluorophenyl)-3-methyl-5-oxopentanoic acid, 5-(3,4-difluorophenyl)-3-methyl-5-oxo-pentanoic Acid, 5-(3,4-difluorophenyl)-3-methyl-5-oxopentanoicacid, 5-(3,4-Difluoro-phenyl)-3-methyl-5-oxo-pentanoic acid
Technical Specifications
| Molecular Formula | C12H12F2O3 |
| Molecular Weight | 242.07545 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.07545 Da |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
| SMILES | CC(CC(=O)C1=CC(=C(C=C1)F)F)CC(=O)O |
| InChIKey | LHFALPXBGLCWGZ-UHFFFAOYSA-N |
Chemical Property Profile of 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid
Property Insights of 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid. With a topological polar surface area (TPSA) of 54.4 Ų, 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid?
The CAS number of 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid is 845781-43-3.
What is the molecular formula of 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid?
The molecular formula of 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid is C12H12F2O3.
What is the molecular weight of 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid?
The molecular weight of 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid is 242.07545 g/mol.
Where can I buy 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid?
You can request a quote for 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid?
Yes, CoreyChem provides custom synthesis services for 5-(3,4-Difluorophenyl)-3-methyl-5-oxovaleric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.