![3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-benzoic acid structure](/static/products/5315/531546-82-4.webp)
3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-benzoic acid
TL;DR: 3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-benzoic acid (CAS 531546-82-4) 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.
3-[(4-ethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid
Also Known As: 3-[(4-ethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid, 3-[(4-ethoxybenzoyl)thiocarbamoylamino]-2-methyl-benzoic Acid, 3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl ]amino]-2-methyl-benzoic acid
| Molecular Formula | C18H18N2O4S |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 3.21872 |
| 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 | 803.2234 |
Chemical Identifiers
| CAS Number | 531546-82-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O |
Product Overview
3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-benzoic acid (CAS 531546-82-4), with molecular formula C18H18N2O4S and molecular weight 358.10 g/mol. IUPAC: 3-[(4-ethoxybenzoyl)carbamothioylamino]-2-methylbenzoic acid.
Chemical Property Profile of 3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-benzoic acid
Property Insights of 3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-benzoic acid
The XLogP value of 3.21872 indicates that 3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-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-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-benzoic acid. Following Lipinski's Rule of Five, 3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-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-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-benzoic acid?
The CAS number of 3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-benzoic acid is 531546-82-4.
What is the molecular formula of 3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-benzoic acid?
The molecular formula of 3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-benzoic acid is C18H18N2O4S.
What is the molecular weight of 3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-benzoic acid?
The molecular weight of 3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-benzoic acid is 358.10 g/mol.
Where can I buy 3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-benzoic acid?
You can request a quote for 3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-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-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[[(4-Ethoxybenzoyl)amino]thioxomethyl]amino]-2-methyl-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.