![3-[[[[(4-Ethylphenoxy)acetyl]amino]thioxomethyl]amino]-2-methyl-benzoic acid structure](/static/products/5323/532385-76-5.webp)
3-[[[[(4-Ethylphenoxy)acetyl]amino]thioxomethyl]amino]-2-methyl-benzoic acid
TL;DR: 3-[[[[(4-Ethylphenoxy)acetyl]amino]thioxomethyl]amino]-2-methyl-benzoic acid (CAS 532385-76-5) 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-ethylphenoxy)acetyl]carbamothioylamino]-2-methylbenzoic acid
Also Known As: 3-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]-2-methylbenzoic acid, 3-[[2-(4-ethylphenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid, 3-[[[[(4-ETHYLPHENOXY)ACETYL ]AMINO]THIOXOMETHYL ]AMINO]-2-METHYL-BENZOIC ACID
| Molecular Formula | C19H20N2O4S |
|---|---|
| Molecular Weight | 372.11 g/mol |
| LogP | 3.14762 |
| 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 | 818.7889 |
Chemical Identifiers
| CAS Number | 532385-76-5 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O |
Product Overview
3-[[[[(4-Ethylphenoxy)acetyl]amino]thioxomethyl]amino]-2-methyl-benzoic acid (CAS 532385-76-5), with molecular formula C19H20N2O4S and molecular weight 372.11 g/mol. IUPAC: 3-[[2-(4-ethylphenoxy)acetyl]carbamothioylamino]-2-methylbenzoic acid.
Chemical Property Profile of 3-[[[[(4-Ethylphenoxy)acetyl]amino]thioxomethyl]amino]-2-methyl-benzoic acid
Property Insights of 3-[[[[(4-Ethylphenoxy)acetyl]amino]thioxomethyl]amino]-2-methyl-benzoic acid
The XLogP value of 3.14762 indicates that 3-[[[[(4-Ethylphenoxy)acetyl]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-Ethylphenoxy)acetyl]amino]thioxomethyl]amino]-2-methyl-benzoic acid. Following Lipinski's Rule of Five, 3-[[[[(4-Ethylphenoxy)acetyl]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-Ethylphenoxy)acetyl]amino]thioxomethyl]amino]-2-methyl-benzoic acid?
The CAS number of 3-[[[[(4-Ethylphenoxy)acetyl]amino]thioxomethyl]amino]-2-methyl-benzoic acid is 532385-76-5.
What is the molecular formula of 3-[[[[(4-Ethylphenoxy)acetyl]amino]thioxomethyl]amino]-2-methyl-benzoic acid?
The molecular formula of 3-[[[[(4-Ethylphenoxy)acetyl]amino]thioxomethyl]amino]-2-methyl-benzoic acid is C19H20N2O4S.
What is the molecular weight of 3-[[[[(4-Ethylphenoxy)acetyl]amino]thioxomethyl]amino]-2-methyl-benzoic acid?
The molecular weight of 3-[[[[(4-Ethylphenoxy)acetyl]amino]thioxomethyl]amino]-2-methyl-benzoic acid is 372.11 g/mol.
Where can I buy 3-[[[[(4-Ethylphenoxy)acetyl]amino]thioxomethyl]amino]-2-methyl-benzoic acid?
You can request a quote for 3-[[[[(4-Ethylphenoxy)acetyl]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-Ethylphenoxy)acetyl]amino]thioxomethyl]amino]-2-methyl-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[[[(4-Ethylphenoxy)acetyl]amino]thioxomethyl]amino]-2-methyl-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.