![3-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid structure](/static/products/5315/531527-72-7.webp)
3-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid
TL;DR: 3-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid (CAS 531527-72-7) is a chemical compound with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 3-[({[5-methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid, 3-[[[[[5-Methyl-2-(1-methylethyl)phenoxy]acetyl ]amino]thioxomethyl ]amino]-benzoic acid, 3-[[2-(5-methyl-2-propan-2-yl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 3.70862 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 864.81024 |
Chemical Identifiers
| CAS Number | 531527-72-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid (CAS 531527-72-7), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid
Property Insights of 3-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid
The XLogP value of 3.70862 indicates that 3-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]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-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[({[5-Methyl-2-(propan-2-yl)phenoxy]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 3-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid?
The CAS number of 3-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid is 531527-72-7.
What is the molecular formula of 3-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid?
The molecular formula of 3-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid is C20H22N2O4S.
What is the molecular weight of 3-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid?
The molecular weight of 3-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid is 386.13 g/mol.
Where can I buy 3-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid?
You can request a quote for 3-[({[5-Methyl-2-(propan-2-yl)phenoxy]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 3-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[({[5-Methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.