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Ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate
TL;DR: Ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate (CAS 425655-87-4) is a chemical compound with molecular formula C18H17ClN2O3S and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzoate
Also Known As: AP-970/40563943, ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate, ethyl 4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzoate, ethyl 4-(3-(2-(4-chlorophenyl)acetyl)thioureido)benzoate, ethyl 4-[({[(4-chlorophenyl)acetyl]amino}carbothioyl)amino]benzoate
| Molecular Formula | C18H17ClN2O3S |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 3.5724 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.06485 |
| Heavy Atoms | 25 |
| Complexity | 760.89557 |
Chemical Identifiers
| CAS Number | 425655-87-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)Cl |
Product Overview
Ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate (CAS 425655-87-4), with molecular formula C18H17ClN2O3S and molecular weight 376.06 g/mol. IUPAC: ethyl 4-[[2-(4-chlorophenyl)acetyl]carbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate
Property Insights of Ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate
The XLogP value of 3.5724 indicates that Ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate has 2 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-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate?
The CAS number of Ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate is 425655-87-4.
What is the molecular formula of Ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate?
The molecular formula of Ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate is C18H17ClN2O3S.
What is the molecular weight of Ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate?
The molecular weight of Ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate is 376.06 g/mol.
Where can I buy Ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate?
You can request a quote for Ethyl 4-({[(4-chlorophenyl)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 Ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[(4-chlorophenyl)acetyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.