2-(4-Fluorobenzyl)acetoacetic acid ethyl ester
TL;DR: 2-(4-Fluorobenzyl)acetoacetic acid ethyl ester (CAS 88023-07-8) is a chemical compound with molecular formula C13H15FO3 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate
Also Known As: ethyl 2-(4-fluorobenzyl)-3-oxobutanoate, 2-(4-fluorobenzyl)acetoacetic acid ethyl ester, 2-(4-Fluorobenzyl)-acetoacetic acid ethyl ester, ethyl 2-(4-fluorobenzyl)acetoacetate, ethyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate
| Molecular Formula | C13H15FO3 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 2.1365 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.10052 |
| Heavy Atoms | 17 |
| Complexity | 397.63052 |
Chemical Identifiers
| CAS Number | 88023-07-8 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)F)C(=O)C |
Product Overview
2-(4-Fluorobenzyl)acetoacetic acid ethyl ester (CAS 88023-07-8), with molecular formula C13H15FO3 and molecular weight 238.10 g/mol. IUPAC: ethyl 2-[(4-fluorophenyl)methyl]-3-oxobutanoate.
Chemical Property Profile of 2-(4-Fluorobenzyl)acetoacetic acid ethyl ester
Property Insights of 2-(4-Fluorobenzyl)acetoacetic acid ethyl ester
The XLogP value of 2.1365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Fluorobenzyl)acetoacetic acid ethyl ester. With a topological polar surface area (TPSA) of 43.37 Ų, 2-(4-Fluorobenzyl)acetoacetic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorobenzyl)acetoacetic acid ethyl ester has 0 hydrogen bond donor(s) and 3 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-(4-Fluorobenzyl)acetoacetic acid ethyl ester?
The CAS number of 2-(4-Fluorobenzyl)acetoacetic acid ethyl ester is 88023-07-8.
What is the molecular formula of 2-(4-Fluorobenzyl)acetoacetic acid ethyl ester?
The molecular formula of 2-(4-Fluorobenzyl)acetoacetic acid ethyl ester is C13H15FO3.
What is the molecular weight of 2-(4-Fluorobenzyl)acetoacetic acid ethyl ester?
The molecular weight of 2-(4-Fluorobenzyl)acetoacetic acid ethyl ester is 238.10 g/mol.
Where can I buy 2-(4-Fluorobenzyl)acetoacetic acid ethyl ester?
You can request a quote for 2-(4-Fluorobenzyl)acetoacetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorobenzyl)acetoacetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorobenzyl)acetoacetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.