![3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid structure](/static/products/4343/434308-44-8.webp)
3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid
TL;DR: 3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid (CAS 434308-44-8) is a chemical compound with molecular formula C17H15ClN2O4S and molecular weight 378.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]-2-methylbenzoic acid
Also Known As: 3-({[(4-chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid, 3-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]-2-methylbenzoic acid, 3-[[[[(4-CHLOROPHENOXY)ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOIC ACID, 3-[[[[ ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOICACID, 3-[[2-(4-chlorophenoxy)acetyl]thiocarbamoylamino]-2-methyl-benzoic Acid
| Molecular Formula | C17H15ClN2O4S |
|---|---|
| Molecular Weight | 378.04 g/mol |
| LogP | 3.23862 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.0441 |
| Heavy Atoms | 25 |
| Complexity | 808.79517 |
Chemical Identifiers
| CAS Number | 434308-44-8 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)COC2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid (CAS 434308-44-8), with molecular formula C17H15ClN2O4S and molecular weight 378.04 g/mol. IUPAC: 3-[[2-(4-chlorophenoxy)acetyl]carbamothioylamino]-2-methylbenzoic acid.
Chemical Property Profile of 3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid
Property Insights of 3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid
The XLogP value of 3.23862 indicates that 3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic 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-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid. Following Lipinski's Rule of Five, 3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic 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-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid?
The CAS number of 3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid is 434308-44-8.
What is the molecular formula of 3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid?
The molecular formula of 3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid is C17H15ClN2O4S.
What is the molecular weight of 3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid?
The molecular weight of 3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid is 378.04 g/mol.
Where can I buy 3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid?
You can request a quote for 3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic 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-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[(4-Chlorophenoxy)acetyl]carbamothioyl}amino)-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.