![2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid structure](/static/products/4336/433694-09-8.webp)
2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid
TL;DR: 2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid (CAS 433694-09-8) is a chemical compound with molecular formula C15H11FN2O3S and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 2-[(4-fluorobenzoyl)carbamothioylamino]benzoic acid, 2-[(4-fluorobenzoyl)thiocarbamoylamino]benzoic Acid, 2-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 2-[[[(4-Fluorobenzoyl)amino]thioxomethyl]amino]-benzoic acid, 2-(([(4-fluorobenzoyl)amino]carbonothioyl)amino)benzoic acid
| Molecular Formula | C15H11FN2O3S |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 2.6507 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.04745 |
| Heavy Atoms | 22 |
| Complexity | 731.8223 |
Chemical Identifiers
| CAS Number | 433694-09-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)F |
Product Overview
2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid (CAS 433694-09-8), with molecular formula C15H11FN2O3S and molecular weight 318.05 g/mol. IUPAC: 2-[(4-fluorobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid
Property Insights of 2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid
The XLogP value of 2.6507 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid 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 2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid?
The CAS number of 2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid is 433694-09-8.
What is the molecular formula of 2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid?
The molecular formula of 2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid is C15H11FN2O3S.
What is the molecular weight of 2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid?
The molecular weight of 2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid is 318.05 g/mol.
Where can I buy 2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid?
You can request a quote for 2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Fluorobenzoyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.