![2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid structure](/static/products/4343/434306-61-3.webp)
2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid
TL;DR: 2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid (CAS 434306-61-3) 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.
2-methyl-3-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 2-methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid, 2-methyl-3-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid, 2-methyl-3-[[2-(3-methylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 2-METHYL-3-[[[[(3-METHYLPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
| 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 | 820.4734 |
Chemical Identifiers
| CAS Number | 434306-61-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O |
Product Overview
2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid (CAS 434306-61-3), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: 2-methyl-3-[[2-(3-methylphenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid
Property Insights of 2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid
The XLogP value of 2.89364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-Methyl-3-({[(3-methylphenoxy)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 2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid?
The CAS number of 2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid is 434306-61-3.
What is the molecular formula of 2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid?
The molecular formula of 2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid is C18H18N2O4S.
What is the molecular weight of 2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid?
The molecular weight of 2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid is 358.10 g/mol.
Where can I buy 2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid?
You can request a quote for 2-Methyl-3-({[(3-methylphenoxy)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 2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-({[(3-methylphenoxy)acetyl]carbamothioyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.