2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate
TL;DR: 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate (CAS 1291867-19-0) is a chemical compound with molecular formula C17H16FNO3 and molecular weight 301.11 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-methylbenzoate
Also Known As: 2-((2-fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate, {[(2-fluorophenyl)methyl]carbamoyl}methyl 4-methylbenzoate, [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-methylbenzoate, 2-[(2-fluorobenzyl)amino]-2-oxoethyl 4-methylbenzoate, F6609-1804
| Molecular Formula | C17H16FNO3 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 2.60732 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.11142 |
| Heavy Atoms | 22 |
| Complexity | 667.8592 |
Chemical Identifiers
| CAS Number | 1291867-19-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OCC(=O)NCC2=CC=CC=C2F |
Product Overview
2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate (CAS 1291867-19-0), with molecular formula C17H16FNO3 and molecular weight 301.11 g/mol. IUPAC: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-methylbenzoate.
Chemical Property Profile of 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate
Property Insights of 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate
The XLogP value of 2.60732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate. With a topological polar surface area (TPSA) of 55.4 Ų, 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate 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 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate?
The CAS number of 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate is 1291867-19-0.
What is the molecular formula of 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate?
The molecular formula of 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate is C17H16FNO3.
What is the molecular weight of 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate?
The molecular weight of 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate is 301.11 g/mol.
Where can I buy 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate?
You can request a quote for 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate 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-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Fluorobenzyl)amino)-2-oxoethyl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.