5-(3,4-Dichlorophenyl)-5-oxopentanoic acid
TL;DR: 5-(3,4-Dichlorophenyl)-5-oxopentanoic acid (CAS 168135-66-8) is a chemical compound with molecular formula C11H10Cl2O3 and molecular weight 260.0007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3,4-dichlorophenyl)-5-oxopentanoic acid
Also Known As: 5-(3,4-Dichlorophenyl)-5-oxovaleric acid, 5-(3,4-dichlorophenyl)-5-oxopentanoic acid, 4-(3,4-dichlorobenzoyl)butyric acid, Benzenepentanoic acid, 3,4-dichloro-delta-oxo-, (2R,4S)-5-actoxy-2,4-dimethylpentanal
Technical Specifications
| Molecular Formula | C11H10Cl2O3 |
| Molecular Weight | 260.0007 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.0007 Da |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
| SMILES | C1=CC(=C(C=C1C(=O)CCCC(=O)O)Cl)Cl |
| InChIKey | XDNXUPLVNCSNBM-UHFFFAOYSA-N |
Chemical Property Profile of 5-(3,4-Dichlorophenyl)-5-oxopentanoic acid
Property Insights of 5-(3,4-Dichlorophenyl)-5-oxopentanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,4-Dichlorophenyl)-5-oxopentanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 5-(3,4-Dichlorophenyl)-5-oxopentanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,4-Dichlorophenyl)-5-oxopentanoic acid has 1 hydrogen bond donor(s) and 3 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-Dichlorophenyl)-5-oxopentanoic acid?
The CAS number of 5-(3,4-Dichlorophenyl)-5-oxopentanoic acid is 168135-66-8.
What is the molecular formula of 5-(3,4-Dichlorophenyl)-5-oxopentanoic acid?
The molecular formula of 5-(3,4-Dichlorophenyl)-5-oxopentanoic acid is C11H10Cl2O3.
What is the molecular weight of 5-(3,4-Dichlorophenyl)-5-oxopentanoic acid?
The molecular weight of 5-(3,4-Dichlorophenyl)-5-oxopentanoic acid is 260.0007 g/mol.
Where can I buy 5-(3,4-Dichlorophenyl)-5-oxopentanoic acid?
You can request a quote for 5-(3,4-Dichlorophenyl)-5-oxopentanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(3,4-Dichlorophenyl)-5-oxopentanoic acid?
Yes, CoreyChem provides custom synthesis services for 5-(3,4-Dichlorophenyl)-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.