![2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate structure](/static/products/100/1001998-83-9.png)
2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate
TL;DR: 2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate (CAS 1001998-83-9) is a chemical compound with molecular formula C18H18FNO5 and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3,5-dimethoxybenzoate
Also Known As: 2-[(4-fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate, [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3,5-dimethoxybenzoate
| Molecular Formula | C18H18FNO5 |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 2.3161 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.1169 |
| Heavy Atoms | 25 |
| Complexity | 723.3817 |
Chemical Identifiers
| CAS Number | 1001998-83-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)OCC(=O)NCC2=CC=C(C=C2)F)OC |
Product Overview
2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate (CAS 1001998-83-9), with molecular formula C18H18FNO5 and molecular weight 347.12 g/mol. IUPAC: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3,5-dimethoxybenzoate.
Chemical Property Profile of 2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate
Property Insights of 2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate
The XLogP value of 2.3161 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate. Following Lipinski's Rule of Five, 2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate has 1 hydrogen bond donor(s) and 5 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)amino]-2-oxoethyl 3,5-dimethoxybenzoate?
The CAS number of 2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate is 1001998-83-9.
What is the molecular formula of 2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate?
The molecular formula of 2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate is C18H18FNO5.
What is the molecular weight of 2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate?
The molecular weight of 2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate is 347.12 g/mol.
Where can I buy 2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate?
You can request a quote for 2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate 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)amino]-2-oxoethyl 3,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Fluorobenzyl)amino]-2-oxoethyl 3,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.