![4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid structure](/static/products/5329/532955-19-4.webp)
4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid
TL;DR: 4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 532955-19-4) 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-(4-ethylphenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 4-({[(4-ethylphenoxy)acetyl]carbamothioyl}amino)benzoic acid, 4-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]benzoic acid, 4-(3-(2-(4-ethylphenoxy)acetyl)thioureido)benzoic acid, 4-[[2-(4-ethylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 4-{3-[2-(4-Ethyl-phenoxy)-acetyl]-thioureido}-benzoic acid
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 2.8392 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.09872 |
| Heavy Atoms | 25 |
| Complexity | 757.65045 |
Chemical Identifiers
| CAS Number | 532955-19-4 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 532955-19-4), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: 4-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid
Property Insights of 4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid
The XLogP value of 2.8392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[[2-(4-Ethylphenoxy)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-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid?
The CAS number of 4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid is 532955-19-4.
What is the molecular formula of 4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular formula of 4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid is C18H18N2O4S.
What is the molecular weight of 4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular weight of 4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid is 358.10 g/mol.
Where can I buy 4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid?
You can request a quote for 4-[[2-(4-Ethylphenoxy)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-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2-(4-Ethylphenoxy)acetyl]carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.