![4-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid structure](/static/products/5329/532979-46-7.webp)
4-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid
TL;DR: 4-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid (CAS 532979-46-7) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(3,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 4-({[(3,5-dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid, 4-[[2-(3,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid, 4-[[[[ ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 4-[[[[(3,5-Dimethylphenoxy)acetyl]amino]thioxomethyl]amino]-benzoic acid, 4-[[2-(3,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoic
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 2.89364 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 782.9734 |
Chemical Identifiers
| CAS Number | 532979-46-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O)C |
Product Overview
4-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid (CAS 532979-46-7), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: 4-[[2-(3,5-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid
Property Insights of 4-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid
The XLogP value of 2.89364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-({[(3,5-Dimethylphenoxy)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-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid?
The CAS number of 4-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid is 532979-46-7.
What is the molecular formula of 4-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 4-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid is C18H18N2O4S.
What is the molecular weight of 4-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 4-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid is 358.10 g/mol.
Where can I buy 4-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 4-({[(3,5-Dimethylphenoxy)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-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[(3,5-Dimethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.