![Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate structure](/static/products/4187/418791-73-8.webp)
Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate
TL;DR: Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate (CAS 418791-73-8) is a chemical compound with molecular formula C16H13FN2O3S and molecular weight 332.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate
Also Known As: BIM-0008332.P001, methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate, methyl 4-(3-(4-fluorobenzoyl)thioureido)benzoate, methyl 4-({[(4-fluorophenyl)carbonyl]carbamothioyl}amino)benzoate
| Molecular Formula | C16H13FN2O3S |
|---|---|
| Molecular Weight | 332.06 g/mol |
| LogP | 2.7391 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.06308 |
| Heavy Atoms | 23 |
| Complexity | 729.9955 |
Chemical Identifiers
| CAS Number | 418791-73-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F |
Product Overview
Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate (CAS 418791-73-8), with molecular formula C16H13FN2O3S and molecular weight 332.06 g/mol. IUPAC: methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate
Property Insights of Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate
The XLogP value of 2.7391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]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 Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate?
The CAS number of Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate is 418791-73-8.
What is the molecular formula of Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate?
The molecular formula of Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate is C16H13FN2O3S.
What is the molecular weight of Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate?
The molecular weight of Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate is 332.06 g/mol.
Where can I buy Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate?
You can request a quote for Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]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-fluorobenzoyl)carbamothioylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[(4-fluorobenzoyl)carbamothioylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.