![Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate structure](/static/products/3645/364595-13-1.webp)
Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
TL;DR: Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 364595-13-1) is a chemical compound with molecular formula C19H19BrN2O4S and molecular weight 450.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoate
Also Known As: ethyl 4-(3-(3-bromo-4-ethoxybenzoyl)thioureido)benzoate, ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate, Ethyl 4-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]benzoate, ethyl 4-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoate, ETHYL 4-({[(3-BROMO-4-ETHOXYPHENYL)FORMAMIDO]METHANETHIOYL}AMINO)BENZOATE
| Molecular Formula | C19H19BrN2O4S |
|---|---|
| Molecular Weight | 450.02 g/mol |
| LogP | 4.1513 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.0249 |
| Heavy Atoms | 27 |
| Complexity | 840.10333 |
Chemical Identifiers
| CAS Number | 364595-13-1 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCC)Br |
Product Overview
Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 364595-13-1), with molecular formula C19H19BrN2O4S and molecular weight 450.02 g/mol. IUPAC: ethyl 4-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
Property Insights of Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
The XLogP value of 4.1513 indicates that Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate has 2 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 Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The CAS number of Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is 364595-13-1.
What is the molecular formula of Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular formula of Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is C19H19BrN2O4S.
What is the molecular weight of Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular weight of Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is 450.02 g/mol.
Where can I buy Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
You can request a quote for Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}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-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.