Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate
TL;DR: Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate (CAS 828298-11-9) is a chemical compound with molecular formula C11H12FNO3 and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-fluorophenyl)methylamino]-2-oxoacetate
Also Known As: acetic acid, oxo-, ethyl ester, ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate, ETHYL ([(4-FLUOROPHENYL)METHYL]CARBAMOYL)FORMATE, Acetic acid, 2-[[(4-fluorophenyl)methyl]amino]-2-oxo-, ethyl ester
| Molecular Formula | C11H12FNO3 |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 1.005 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.08012 |
| Heavy Atoms | 16 |
| Complexity | 375.32098 |
Chemical Identifiers
| CAS Number | 828298-11-9 |
|---|---|
| SMILES | CCOC(=O)C(=O)NCC1=CC=C(C=C1)F |
Product Overview
Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate (CAS 828298-11-9), with molecular formula C11H12FNO3 and molecular weight 225.08 g/mol. IUPAC: ethyl 2-[(4-fluorophenyl)methylamino]-2-oxoacetate.
Chemical Property Profile of Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate
Property Insights of Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate
The XLogP value of 1.005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate has 1 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 Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate?
The CAS number of Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate is 828298-11-9.
What is the molecular formula of Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate?
The molecular formula of Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate is C11H12FNO3.
What is the molecular weight of Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate?
The molecular weight of Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate is 225.08 g/mol.
Where can I buy Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate?
You can request a quote for Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((4-fluorobenzyl)amino)-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.