2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate
TL;DR: 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate (CAS 1291850-49-1) is a chemical compound with molecular formula C17H13FN2O3 and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate
Also Known As: 2-((2-fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate, {[(2-fluorophenyl)methyl]carbamoyl}methyl 4-cyanobenzoate, [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate, 2-[(2-fluorobenzyl)amino]-2-oxoethyl 4-cyanobenzoate, F6609-3900
| Molecular Formula | C17H13FN2O3 |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 2.17058 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.09103 |
| Heavy Atoms | 23 |
| Complexity | 751.17896 |
Chemical Identifiers
| CAS Number | 1291850-49-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)C#N)F |
Product Overview
2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate (CAS 1291850-49-1), with molecular formula C17H13FN2O3 and molecular weight 312.09 g/mol. IUPAC: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate.
Chemical Property Profile of 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate
Property Insights of 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate
The XLogP value of 2.17058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate. Following Lipinski's Rule of Five, 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate has 1 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-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate?
The CAS number of 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate is 1291850-49-1.
What is the molecular formula of 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate?
The molecular formula of 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate is C17H13FN2O3.
What is the molecular weight of 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate?
The molecular weight of 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate is 312.09 g/mol.
Where can I buy 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate?
You can request a quote for 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-cyanobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.