![3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid structure](/static/products/5359/535976-72-8.webp)
3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid
TL;DR: 3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid (CAS 535976-72-8) is a chemical compound with molecular formula C15H9Cl2FN2O3S and molecular weight 385.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3,5-Dichloro-2-{[(2-Fluorobenzoyl)Carbamothioyl]Amino}Benzoic Acid, 3,5-dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid, 3,5-dichloro-2-[(2-fluorobenzoyl)thiocarbamoylamino]benzoic Acid, 3,5-Dichloro-2-[[[(2-fluorobenzoyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C15H9Cl2FN2O3S |
|---|---|
| Molecular Weight | 385.97 g/mol |
| LogP | 3.9575 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.96948 |
| Heavy Atoms | 24 |
| Complexity | 845.46405 |
Chemical Identifiers
| CAS Number | 535976-72-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2Cl)Cl)C(=O)O)F |
Product Overview
3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid (CAS 535976-72-8), with molecular formula C15H9Cl2FN2O3S and molecular weight 385.97 g/mol. IUPAC: 3,5-dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid
Property Insights of 3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid
The XLogP value of 3.9575 indicates that 3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 3,5-Dichloro-2-[(2-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 3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid?
The CAS number of 3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid is 535976-72-8.
What is the molecular formula of 3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid?
The molecular formula of 3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid is C15H9Cl2FN2O3S.
What is the molecular weight of 3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid?
The molecular weight of 3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid is 385.97 g/mol.
Where can I buy 3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid?
You can request a quote for 3,5-Dichloro-2-[(2-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 3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichloro-2-[(2-fluorobenzoyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.