4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate
TL;DR: 4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate (CAS 516469-53-7) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(propanoylamino)benzoyl]oxymethyl]benzoate
Also Known As: 4-(ethoxycarbonyl)benzyl 4-(propionylamino)benzoate, 4-(ethoxycarbonyl)benzyl 4-propionamidobenzoate, AJ-292/41944807, ethyl 4-[[4-(propanoylamino)benzoyl]oxymethyl]benzoate
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 3.5688 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 765.79346 |
Chemical Identifiers
| CAS Number | 516469-53-7 |
|---|---|
| SMILES | CCC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(=O)OCC |
Product Overview
4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate (CAS 516469-53-7), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: ethyl 4-[[4-(propanoylamino)benzoyl]oxymethyl]benzoate.
Chemical Property Profile of 4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate
Property Insights of 4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate
The XLogP value of 3.5688 indicates that 4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate. Following Lipinski's Rule of Five, 4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate 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 4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate?
The CAS number of 4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate is 516469-53-7.
What is the molecular formula of 4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate?
The molecular formula of 4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate is C20H21NO5.
What is the molecular weight of 4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate?
The molecular weight of 4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate is 355.14 g/mol.
Where can I buy 4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate?
You can request a quote for 4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Ethoxycarbonyl)benzyl 4-(propionylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.