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Ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate
TL;DR: Ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate (CAS 327053-64-5) is a chemical compound with molecular formula C18H18BrNO4 and molecular weight 391.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate
Also Known As: BAS 06011777, ethyl 4-(3-bromo-4-ethoxybenzamido)benzoate, ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate, ethyl p-(3-bromo-4-ethoxybenzylamino)benzoate, F0451-5422
| Molecular Formula | C18H18BrNO4 |
|---|---|
| Molecular Weight | 391.04 g/mol |
| LogP | 4.2768 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.04193 |
| Heavy Atoms | 24 |
| Complexity | 728.29865 |
Chemical Identifiers
| CAS Number | 327053-64-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)OCC)Br |
Product Overview
Ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate (CAS 327053-64-5), with molecular formula C18H18BrNO4 and molecular weight 391.04 g/mol. IUPAC: ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate.
Chemical Property Profile of Ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate
Property Insights of Ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate
The XLogP value of 4.2768 indicates that Ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate has 1 hydrogen bond donor(s) and 4 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-[(3-bromo-4-ethoxybenzoyl)amino]benzoate?
The CAS number of Ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate is 327053-64-5.
What is the molecular formula of Ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate?
The molecular formula of Ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate is C18H18BrNO4.
What is the molecular weight of Ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate?
The molecular weight of Ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate is 391.04 g/mol.
Where can I buy Ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate?
You can request a quote for Ethyl 4-[(3-bromo-4-ethoxybenzoyl)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-[(3-bromo-4-ethoxybenzoyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(3-bromo-4-ethoxybenzoyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.