![Butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate structure](/static/products/4284/428485-82-9.webp)
Butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
TL;DR: Butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 428485-82-9) is a chemical compound with molecular formula C21H23BrN2O4S and molecular weight 478.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoate
Also Known As: butyl 4-(3-(3-bromo-4-ethoxybenzoyl)thioureido)benzoate, butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate, butyl 4-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoate
| Molecular Formula | C21H23BrN2O4S |
|---|---|
| Molecular Weight | 478.06 g/mol |
| LogP | 4.9315 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 478.05618 |
| Heavy Atoms | 29 |
| Complexity | 871.48486 |
Chemical Identifiers
| CAS Number | 428485-82-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Br |
Product Overview
Butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 428485-82-9), with molecular formula C21H23BrN2O4S and molecular weight 478.06 g/mol. IUPAC: butyl 4-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
Property Insights of Butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
The XLogP value of 4.9315 indicates that Butyl 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 Butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Butyl 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 Butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The CAS number of Butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is 428485-82-9.
What is the molecular formula of Butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular formula of Butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is C21H23BrN2O4S.
What is the molecular weight of Butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular weight of Butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is 478.06 g/mol.
Where can I buy Butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
You can request a quote for Butyl 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 Butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-({[(3-bromo-4-ethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.