2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester
TL;DR: 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester (CAS 677326-74-8) is a chemical compound with molecular formula C13H13FO4 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-fluorobenzoyl)-3-oxobutanoate
Also Known As: ethyl 2-(2-fluorobenzoyl)-3-oxobutanoate, Ethyl 2-(2-fluorobenzoyl)-3-oxo-butanoate, 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester, 2-(2-FLUORO-BENZOYL)-3-OXO-BUTYRIC ACID ETHYLESTER, 2-(2-FLUORO-BENZOYL)-3-OXO-BUTYRIC ACID ETHYL ESTER
| Molecular Formula | C13H13FO4 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 1.7767 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.07979 |
| Heavy Atoms | 18 |
| Complexity | 481.63452 |
Chemical Identifiers
| CAS Number | 677326-74-8 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)C(=O)C1=CC=CC=C1F |
Product Overview
2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester (CAS 677326-74-8), with molecular formula C13H13FO4 and molecular weight 252.08 g/mol. IUPAC: ethyl 2-(2-fluorobenzoyl)-3-oxobutanoate.
Chemical Property Profile of 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester
Property Insights of 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester
The XLogP value of 1.7767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester. Following Lipinski's Rule of Five, 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester 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 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester?
The CAS number of 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester is 677326-74-8.
What is the molecular formula of 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester?
The molecular formula of 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester is C13H13FO4.
What is the molecular weight of 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester?
The molecular weight of 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester is 252.08 g/mol.
Where can I buy 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester?
You can request a quote for 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Fluorobenzoyl)-3-oxo-butyricacidethylester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.