![3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid structure](/static/products/5301/530132-33-3.webp)
3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid
TL;DR: 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid (CAS 530132-33-3) is a chemical compound with molecular formula C19H19ClN2O4S and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]carbamothioylamino]-2-methylbenzoic acid
Also Known As: 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid, 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]carbamothioylamino]-2-methylbenzoic acid, 3-[[[[(4-Chloro-3,5-dimethylphenoxy)acetyl ]amino]thioxomethyl ]amino]-2-methyl-benzoic acid
| Molecular Formula | C19H19ClN2O4S |
|---|---|
| Molecular Weight | 406.08 g/mol |
| LogP | 3.85546 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.0754 |
| Heavy Atoms | 27 |
| Complexity | 891.57294 |
Chemical Identifiers
| CAS Number | 530132-33-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OCC(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O |
Product Overview
3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid (CAS 530132-33-3), with molecular formula C19H19ClN2O4S and molecular weight 406.08 g/mol. IUPAC: 3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]carbamothioylamino]-2-methylbenzoic acid.
Chemical Property Profile of 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid
Property Insights of 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid
The XLogP value of 3.85546 indicates that 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-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 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid. Following Lipinski's Rule of Five, 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-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 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid?
The CAS number of 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid is 530132-33-3.
What is the molecular formula of 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid?
The molecular formula of 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid is C19H19ClN2O4S.
What is the molecular weight of 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid?
The molecular weight of 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid is 406.08 g/mol.
Where can I buy 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid?
You can request a quote for 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-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-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.