![2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID structure](/static/products/5329/532948-62-2.webp)
2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID
TL;DR: 2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID (CAS 532948-62-2) 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.
2-methyl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 2-methyl-3-[[2-(5-methyl-2-propan-2-yl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid, 2-methyl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid, 2-Methyl-3-[[[[[5-methyl-2-(1-methylethyl)phenoxy]acetyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C21H24N2O4S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 4.01704 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.1457 |
| Heavy Atoms | 28 |
| Complexity | 909.27374 |
Chemical Identifiers
| CAS Number | 532948-62-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O |
Product Overview
2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID (CAS 532948-62-2), with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol. IUPAC: 2-methyl-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID
Property Insights of 2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID
The XLogP value of 4.01704 indicates that 2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID 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-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID. Following Lipinski's Rule of Five, 2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID 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-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID?
The CAS number of 2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID is 532948-62-2.
What is the molecular formula of 2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID?
The molecular formula of 2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID is C21H24N2O4S.
What is the molecular weight of 2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID?
The molecular weight of 2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID is 400.15 g/mol.
Where can I buy 2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID?
You can request a quote for 2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID 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-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID?
Yes, KEHONG BIO provides custom synthesis services for 2-METHYL-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.