![2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid structure](/static/products/5315/531515-75-0.webp)
2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid
TL;DR: 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid (CAS 531515-75-0) is a chemical compound with molecular formula C17H14Cl2N2O4S and molecular weight 412.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-[[2-(4-chloro-3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid, 2-chloro-5-[[2-(4-chloro-3-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 2-chloro-5-[[2-(4-chloro-3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid
| Molecular Formula | C17H14Cl2N2O4S |
|---|---|
| Molecular Weight | 412.01 g/mol |
| LogP | 3.89202 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.00513 |
| Heavy Atoms | 26 |
| Complexity | 873.83655 |
Chemical Identifiers
| CAS Number | 531515-75-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)O)Cl |
Product Overview
2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid (CAS 531515-75-0), with molecular formula C17H14Cl2N2O4S and molecular weight 412.01 g/mol. IUPAC: 2-chloro-5-[[2-(4-chloro-3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid
Property Insights of 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid
The XLogP value of 3.89202 indicates that 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]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 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid. Following Lipinski's Rule of Five, 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]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 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid?
The CAS number of 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid is 531515-75-0.
What is the molecular formula of 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid?
The molecular formula of 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid is C17H14Cl2N2O4S.
What is the molecular weight of 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid?
The molecular weight of 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid is 412.01 g/mol.
Where can I buy 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid?
You can request a quote for 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]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 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-[[[[(4-chloro-3-methylphenoxy)acetyl ]amino]thioxomethyl ]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.