![2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid structure](/static/products/5329/532978-32-8.webp)
2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid
TL;DR: 2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid (CAS 532978-32-8) is a chemical compound with molecular formula C15H10FIN2O3S and molecular weight 443.9441 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid
Also Known As: 2-[(4-fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid, 2-(3-(4-fluorobenzoyl)thioureido)-5-iodobenzoic acid, 2-[[[ AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOICACID, 2-[(4-fluorobenzoyl)thiocarbamoylamino]-5-iodo-benzoic Acid, 2-{[(4-Fluorobenzoyl)carbamothioyl]amino}-5-iodobenzoic acid
Technical Specifications
| Molecular Formula | C15H10FIN2O3S |
| Molecular Weight | 443.9441 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 443.9441 Da |
| Heavy Atoms | 23 |
| Complexity | 472.0 |
| SMILES | C1=CC(=CC=C1C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O)F |
| InChIKey | DJYPWRKMKRJCLK-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid
Property Insights of 2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid
The XLogP value of 3.8 indicates that 2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid. Following Lipinski's Rule of Five, 2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid?
The CAS number of 2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid is 532978-32-8.
What is the molecular formula of 2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid?
The molecular formula of 2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid is C15H10FIN2O3S.
What is the molecular weight of 2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid?
The molecular weight of 2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid is 443.9441 g/mol.
Where can I buy 2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid?
You can request a quote for 2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-[(4-Fluorobenzoyl)carbamothioylamino]-5-iodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.