![4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid structure](/static/products/5329/532945-79-2.webp)
4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid
TL;DR: 4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid (CAS 532945-79-2) is a chemical compound with molecular formula C16H12Cl2N2O4S and molecular weight 397.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 4-chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid, 4-chloro-3-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]be, 4-chloro-3-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoic acid, 4-chloro-3-[[2-(4-chlorophenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 4-CHLORO-3-({[2-(4-CHLOROPHENOXY)ACETAMIDO]METHANETHIOYL}AMINO)BENZOIC ACID
| Molecular Formula | C16H12Cl2N2O4S |
|---|---|
| Molecular Weight | 397.99 g/mol |
| LogP | 3.5836 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.98947 |
| Heavy Atoms | 25 |
| Complexity | 812.28204 |
Chemical Identifiers
| CAS Number | 532945-79-2 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl)Cl |
Product Overview
4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid (CAS 532945-79-2), with molecular formula C16H12Cl2N2O4S and molecular weight 397.99 g/mol. IUPAC: 4-chloro-3-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid
Property Insights of 4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid
The XLogP value of 3.5836 indicates that 4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid has 3 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 4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid?
The CAS number of 4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid is 532945-79-2.
What is the molecular formula of 4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid is C16H12Cl2N2O4S.
What is the molecular weight of 4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid is 397.99 g/mol.
Where can I buy 4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.