![Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate structure](/static/products/1222/122255-02-1.webp)
Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate
TL;DR: Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate (CAS 122255-02-1) is a chemical compound with molecular formula C12H13FO3 and molecular weight 224.08487 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate
Also Known As: Flufenamic acid,methyl deriv., methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate, methyl 2-(4-fluorobenzyl)-3-oxobutanoate, 2-(4-FLUORO-BENZYL)-3-OXO-BUTYRIC ACID METHYL ESTER, 2-(4-Fluorobenzyl)-3-oxo-butyric acid methylester
Technical Specifications
| Molecular Formula | C12H13FO3 |
| Molecular Weight | 224.08487 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.08487 Da |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
| SMILES | CC(=O)C(CC1=CC=C(C=C1)F)C(=O)OC |
| InChIKey | DHTNWKZWQQMWOE-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate
Property Insights of Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate?
The CAS number of Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate is 122255-02-1.
What is the molecular formula of Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate?
The molecular formula of Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate is C12H13FO3.
What is the molecular weight of Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate?
The molecular weight of Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate is 224.08487 g/mol.
Where can I buy Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate?
You can request a quote for Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.