![3-[[2-(4-Propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid structure](/static/products/4626/462614-57-9.webp)
3-[[2-(4-Propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid
TL;DR: 3-[[2-(4-Propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 462614-57-9) is a chemical compound with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(4-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 3-[[2-(4-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid, 3-[[2-(4-propan-2-ylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 3-[({[4-(Propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid
| Molecular Formula | C19H20N2O4S |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 3.4002 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.11438 |
| Heavy Atoms | 26 |
| Complexity | 803.44135 |
Chemical Identifiers
| CAS Number | 462614-57-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-[[2-(4-Propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid (CAS 462614-57-9), with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol. IUPAC: 3-[[2-(4-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-[[2-(4-Propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid
Property Insights of 3-[[2-(4-Propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid
The XLogP value of 3.4002 indicates that 3-[[2-(4-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 3-[[2-(4-Propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 3-[[2-(4-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 3-[[2-(4-Propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid?
The CAS number of 3-[[2-(4-Propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid is 462614-57-9.
What is the molecular formula of 3-[[2-(4-Propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular formula of 3-[[2-(4-Propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid is C19H20N2O4S.
What is the molecular weight of 3-[[2-(4-Propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid?
The molecular weight of 3-[[2-(4-Propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid is 372.11 g/mol.
Where can I buy 3-[[2-(4-Propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid?
You can request a quote for 3-[[2-(4-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 3-[[2-(4-Propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[2-(4-Propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.