![2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid structure](/static/products/5415/54152-09-9.webp)
2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid
TL;DR: 2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid (CAS 54152-09-9) is a chemical compound with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-2-methylbenzoic acid
Also Known As: 2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 3-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-2-methylbenzoic acid, Pyridine,1-(2-chloro-1-oxopropyl)-1,2,3,6-tetrahydro-4-methyl-(9CI), 3-[[[[[4- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-2-METHYL-BENZOICACID, 3-[[[[[4-(1,1-DIMETHYLETHYL)PHENOXY]ACETYL ]AMINO]THIOXOMETHYL ]AMINO]-2-METHYL-BENZOIC ACID
| Molecular Formula | C21H24N2O4S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 3.88272 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1457 |
| Heavy Atoms | 28 |
| Complexity | 886.26886 |
Chemical Identifiers
| CAS Number | 54152-09-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)COC2=CC=C(C=C2)C(C)(C)C)C(=O)O |
Product Overview
2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid (CAS 54152-09-9), with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol. IUPAC: 3-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-2-methylbenzoic acid.
Chemical Property Profile of 2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid
Property Insights of 2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid
The XLogP value of 3.88272 indicates that 2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]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 2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid. Following Lipinski's Rule of Five, 2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]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-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid?
The CAS number of 2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid is 54152-09-9.
What is the molecular formula of 2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid?
The molecular formula of 2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid is C21H24N2O4S.
What is the molecular weight of 2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid?
The molecular weight of 2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid is 400.15 g/mol.
Where can I buy 2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid?
You can request a quote for 2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]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-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.