Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate
TL;DR: Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate (CAS 151920-48-8) is a chemical compound with molecular formula C15H18O5 and molecular weight 278.11542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate
Also Known As: dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate, Dimethyl 2-(3-oxo-1-phenyl-butyl)propanedioate, (3-Oxo-1-phenylbutyl)malonic acid dimethyl ester, 1,3-dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate, 2-(1-Phenyl-3-oxobutyl)malonic acid dimethyl ester
Technical Specifications
| Molecular Formula | C15H18O5 |
| Molecular Weight | 278.11542 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.11542 Da |
| Heavy Atoms | 20 |
| Complexity | 341.0 |
| SMILES | CC(=O)CC(C1=CC=CC=C1)C(C(=O)OC)C(=O)OC |
| InChIKey | VEUXCYNCLREHMC-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate
Property Insights of Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate. Following Lipinski's Rule of Five, Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate has 0 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 Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate?
The CAS number of Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate is 151920-48-8.
What is the molecular formula of Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate?
The molecular formula of Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate is C15H18O5.
What is the molecular weight of Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate?
The molecular weight of Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate is 278.11542 g/mol.
Where can I buy Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate?
You can request a quote for Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate?
Yes, CoreyChem provides custom synthesis services for Dimethyl 2-(3-oxo-1-phenylbutyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.