![4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid structure](/static/products/5359/535948-61-9.webp)
4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid
TL;DR: 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 535948-61-9) is a chemical compound with molecular formula C20H21ClN2O4S and molecular weight 420.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid, 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamo, 4-Chloro-3-[({[5-methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid, 4-CHLORO-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 4-chloro-3-[[2-(5-methyl-2-propan-2-yl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid
| Molecular Formula | C20H21ClN2O4S |
|---|---|
| Molecular Weight | 420.09 g/mol |
| LogP | 4.36202 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.09106 |
| Heavy Atoms | 28 |
| Complexity | 915.07385 |
Chemical Identifiers
| CAS Number | 535948-61-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl |
Product Overview
4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 535948-61-9), with molecular formula C20H21ClN2O4S and molecular weight 420.09 g/mol. IUPAC: 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid
Property Insights of 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid
The XLogP value of 4.36202 indicates that 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]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-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]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-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid?
The CAS number of 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid is 535948-61-9.
What is the molecular formula of 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular formula of 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid is C20H21ClN2O4S.
What is the molecular weight of 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular weight of 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid is 420.09 g/mol.
Where can I buy 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid?
You can request a quote for 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]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 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.