acetyl}amino)benzoate structure](/static/products/333/333760-57-9.png)
Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate
TL;DR: Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate (CAS 333760-57-9) is a chemical compound with molecular formula C19H18N2O6 and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]benzoate
Also Known As: BAS 00919976, ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate, ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]benzoate, 4-[(Benzo[1,3]dioxol-5-ylmethyl)-aminooxalyl]-amino)-benzoic acid ethyl ester, ethyl 4-(2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoacetamido)benzoate
| Molecular Formula | C19H18N2O6 |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 1.8469 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.1165 |
| Heavy Atoms | 27 |
| Complexity | 863.00366 |
Chemical Identifiers
| CAS Number | 333760-57-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate (CAS 333760-57-9), with molecular formula C19H18N2O6 and molecular weight 370.12 g/mol. IUPAC: ethyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate
Property Insights of Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate
The XLogP value of 1.8469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate has 2 hydrogen bond donor(s) and 6 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 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate?
The CAS number of Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate is 333760-57-9.
What is the molecular formula of Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate?
The molecular formula of Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate is C19H18N2O6.
What is the molecular weight of Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate?
The molecular weight of Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate is 370.12 g/mol.
Where can I buy Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate?
You can request a quote for Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.