acetyl}amino)benzoate structure](/static/products/333/333760-58-0.png)
Propyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate
TL;DR: Propyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate (CAS 333760-58-0) is a chemical compound with molecular formula C20H20N2O6 and molecular weight 384.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]benzoate
Also Known As: propyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate, propyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]benzoate, propyl 4-{[[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl]amino}benzoate, propyl 4-(2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-oxoacetamido)benzoate
| Molecular Formula | C20H20N2O6 |
|---|---|
| Molecular Weight | 384.13 g/mol |
| LogP | 2.237 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.13214 |
| Heavy Atoms | 28 |
| Complexity | 878.7647 |
Chemical Identifiers
| CAS Number | 333760-58-0 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
Propyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate (CAS 333760-58-0), with molecular formula C20H20N2O6 and molecular weight 384.13 g/mol. IUPAC: propyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoacetyl]amino]benzoate.
Chemical Property Profile of Propyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate
Property Insights of Propyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate
The XLogP value of 2.237 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 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 Propyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate. Following Lipinski's Rule of Five, Propyl 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 Propyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate?
The CAS number of Propyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate is 333760-58-0.
What is the molecular formula of Propyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate?
The molecular formula of Propyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate is C20H20N2O6.
What is the molecular weight of Propyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate?
The molecular weight of Propyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate is 384.13 g/mol.
Where can I buy Propyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate?
You can request a quote for Propyl 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 Propyl 4-({[(1,3-benzodioxol-5-ylmethyl)amino](oxo)acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 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.