![5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid structure](/static/products/5329/532949-74-9.webp)
5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid
TL;DR: 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid (CAS 532949-74-9) is a chemical compound with molecular formula C18H16Cl2N2O4S and molecular weight 426.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 5-chloro-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid, 5-Chloro-2-[[[[(4-chloro-3,5-dimethylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C18H16Cl2N2O4S |
|---|---|
| Molecular Weight | 426.02 g/mol |
| LogP | 4.20044 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.02078 |
| Heavy Atoms | 27 |
| Complexity | 895.2249 |
Chemical Identifiers
| CAS Number | 532949-74-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OCC(=O)NC(=S)NC2=C(C=C(C=C2)Cl)C(=O)O |
Product Overview
5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid (CAS 532949-74-9), with molecular formula C18H16Cl2N2O4S and molecular weight 426.02 g/mol. IUPAC: 5-chloro-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid
Property Insights of 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid
The XLogP value of 4.20044 indicates that 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]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 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid. Following Lipinski's Rule of Five, 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]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 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid?
The CAS number of 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid is 532949-74-9.
What is the molecular formula of 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid?
The molecular formula of 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid is C18H16Cl2N2O4S.
What is the molecular weight of 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid?
The molecular weight of 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid is 426.02 g/mol.
Where can I buy 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid?
You can request a quote for 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.