![4-[(4-Fluorophenyl)carbamothioylamino]benzamide structure](/static/products/3161/316151-39-0.webp)
4-[(4-Fluorophenyl)carbamothioylamino]benzamide
TL;DR: 4-[(4-Fluorophenyl)carbamothioylamino]benzamide (CAS 316151-39-0) is a chemical compound with molecular formula C14H12FN3OS and molecular weight 289.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)carbamothioylamino]benzamide
Also Known As: 4-[(4-fluorophenyl)carbamothioylamino]benzamide, BIM-0046995.P001, 4-({[(4-fluorophenyl)amino]carbonothioyl}amino)benzamide, 4-{[(4-fluorophenyl)carbamothioyl]amino}benzamide, 4-({[(4-fluorophenyl)amino]thioxomethyl}amino)benzamide
| Molecular Formula | C14H12FN3OS |
|---|---|
| Molecular Weight | 289.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 99.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.0685 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 316151-39-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N)NC(=S)NC2=CC=C(C=C2)F |
| InChIKey | AMWAUPBKXPXJDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(4-Fluorophenyl)carbamothioylamino]benzamide (CAS 316151-39-0), with molecular formula C14H12FN3OS and molecular weight 289.07 g/mol. IUPAC: 4-[(4-fluorophenyl)carbamothioylamino]benzamide.
Chemical Property Profile of 4-[(4-Fluorophenyl)carbamothioylamino]benzamide
Property Insights of 4-[(4-Fluorophenyl)carbamothioylamino]benzamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Fluorophenyl)carbamothioylamino]benzamide. The TPSA of 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Fluorophenyl)carbamothioylamino]benzamide. Following Lipinski's Rule of Five, 4-[(4-Fluorophenyl)carbamothioylamino]benzamide has 3 hydrogen bond donor(s) and 3 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 4-[(4-Fluorophenyl)carbamothioylamino]benzamide?
The CAS number of 4-[(4-Fluorophenyl)carbamothioylamino]benzamide is 316151-39-0.
What is the molecular formula of 4-[(4-Fluorophenyl)carbamothioylamino]benzamide?
The molecular formula of 4-[(4-Fluorophenyl)carbamothioylamino]benzamide is C14H12FN3OS.
What is the molecular weight of 4-[(4-Fluorophenyl)carbamothioylamino]benzamide?
The molecular weight of 4-[(4-Fluorophenyl)carbamothioylamino]benzamide is 289.07 g/mol.
Where can I buy 4-[(4-Fluorophenyl)carbamothioylamino]benzamide?
You can request a quote for 4-[(4-Fluorophenyl)carbamothioylamino]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Fluorophenyl)carbamothioylamino]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Fluorophenyl)carbamothioylamino]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.