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Butyl 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate
TL;DR: Butyl 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 428448-70-8) is a chemical compound with molecular formula C19H19FN2O3S and molecular weight 374.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(2-fluorobenzoyl)carbamothioylamino]benzoate
Also Known As: AB00106920-01, butyl 4-(3-(2-fluorobenzoyl)thioureido)benzoate, butyl 4-[(2-fluorobenzoyl)carbamothioylamino]benzoate, butyl 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate
| Molecular Formula | C19H19FN2O3S |
|---|---|
| Molecular Weight | 374.11 g/mol |
| LogP | 3.9094 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.11005 |
| Heavy Atoms | 26 |
| Complexity | 793.62616 |
Chemical Identifiers
| CAS Number | 428448-70-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2F |
Product Overview
Butyl 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 428448-70-8), with molecular formula C19H19FN2O3S and molecular weight 374.11 g/mol. IUPAC: butyl 4-[(2-fluorobenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Butyl 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate
Property Insights of Butyl 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate
The XLogP value of 3.9094 indicates that Butyl 4-({[(2-fluorophenyl)carbonyl]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 Butyl 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Butyl 4-({[(2-fluorophenyl)carbonyl]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 Butyl 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate?
The CAS number of Butyl 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate is 428448-70-8.
What is the molecular formula of Butyl 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular formula of Butyl 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate is C19H19FN2O3S.
What is the molecular weight of Butyl 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular weight of Butyl 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate is 374.11 g/mol.
Where can I buy Butyl 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate?
You can request a quote for Butyl 4-({[(2-fluorophenyl)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-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-({[(2-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.