![Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate structure](/static/products/649/649565-05-9.png)
Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate
TL;DR: Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate (CAS 649565-05-9) is a chemical compound with molecular formula C17H14BrClN2O4S and molecular weight 455.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(4-bromo-2-chlorophenoxy)acetyl]carbamothioylamino]benzoate
Also Known As: methyl 4-[({[(4-bromo-2-chlorophenoxy)acetyl]amino}carbonothioyl)amino]benzoate, methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate, Methyl 4-[[2-(4-bromo-2-chloro-phenoxy)acetyl]thiocarbamoylamino]benzoate, methyl 4-[[2-(4-bromo-2-chlorophenoxy)acetyl]carbamothioylamino]benzoate
| Molecular Formula | C17H14BrClN2O4S |
|---|---|
| Molecular Weight | 455.95 g/mol |
| LogP | 3.7811 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.95462 |
| Heavy Atoms | 26 |
| Complexity | 830.01263 |
Chemical Identifiers
| CAS Number | 649565-05-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl |
Product Overview
Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate (CAS 649565-05-9), with molecular formula C17H14BrClN2O4S and molecular weight 455.95 g/mol. IUPAC: methyl 4-[[2-(4-bromo-2-chlorophenoxy)acetyl]carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate
Property Insights of Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate
The XLogP value of 3.7811 indicates that Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]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 Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]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 Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate?
The CAS number of Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate is 649565-05-9.
What is the molecular formula of Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate?
The molecular formula of Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate is C17H14BrClN2O4S.
What is the molecular weight of Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate?
The molecular weight of Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate is 455.95 g/mol.
Where can I buy Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate?
You can request a quote for Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]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 Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-({[(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.