Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate
TL;DR: Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate (CAS 676348-58-6) is a chemical compound with molecular formula C12H11FO4 and molecular weight 238.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-fluorobenzoyl)-3-oxobutanoate
Also Known As: methyl 2-(4-fluorobenzoyl)-3-oxobutanoate, Methyl 2-(4-fluorobenzoyl)-3-oxo-butanoate, 2-(4-FLUORO-BENZOYL)-3-OXO-BUTYRIC ACID METHYLESTER, 2-(4-FLUORO-BENZOYL)-3-OXO-BUTYRIC ACID METHYL ESTER, 2-(4-fluorobenzoyl)-3-oxo-butyric acid methyl ester
| Molecular Formula | C12H11FO4 |
|---|---|
| Molecular Weight | 238.06 g/mol |
| LogP | 1.3866 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.06413 |
| Heavy Atoms | 17 |
| Complexity | 450.07837 |
Chemical Identifiers
| CAS Number | 676348-58-6 |
|---|---|
| SMILES | CC(=O)C(C(=O)C1=CC=C(C=C1)F)C(=O)OC |
Product Overview
Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate (CAS 676348-58-6), with molecular formula C12H11FO4 and molecular weight 238.06 g/mol. IUPAC: methyl 2-(4-fluorobenzoyl)-3-oxobutanoate.
Chemical Property Profile of Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate
Property Insights of Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate
The XLogP value of 1.3866 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate. Following Lipinski's Rule of Five, Methyl 2-(4-fluorobenzoyl)-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
Frequently Asked Questions
What is the CAS number of Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate?
The CAS number of Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate is 676348-58-6.
What is the molecular formula of Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate?
The molecular formula of Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate is C12H11FO4.
What is the molecular weight of Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate?
The molecular weight of Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate is 238.06 g/mol.
Where can I buy Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate?
You can request a quote for Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-fluorobenzoyl)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.