4-Acetoxy-2-(4-methylphenyl)benzothiazole
TL;DR: 4-Acetoxy-2-(4-methylphenyl)benzothiazole (CAS 122589-79-1) is a chemical compound with molecular formula C16H13NO2S and molecular weight 283.0667 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-methylphenyl)-1,3-benzothiazol-4-yl] acetate
Also Known As: Aompbt, 4-Acetoxy-2-(4-methylphenyl)benzothiazole, [2-(4-methylphenyl)-1,3-benzothiazol-4-yl] acetate, 4-acetoxy-2-(4-methylphenyl)benzo[d]thiazole, 2-(4-methylphenyl)-1,3-benzothiazol-4-yl acetate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H13NO2S |
| Molecular Weight | 283.0667 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0667 Da |
| Heavy Atoms | 20 |
| Complexity | 354.0 |
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3S2)OC(=O)C |
| InChIKey | RBCGOSAFAPGFGD-UHFFFAOYSA-N |
Chemical Property Profile of 4-Acetoxy-2-(4-methylphenyl)benzothiazole
Property Insights of 4-Acetoxy-2-(4-methylphenyl)benzothiazole
The XLogP value of 4.2 indicates that 4-Acetoxy-2-(4-methylphenyl)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetoxy-2-(4-methylphenyl)benzothiazole. Following Lipinski's Rule of Five, 4-Acetoxy-2-(4-methylphenyl)benzothiazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Acetoxy-2-(4-methylphenyl)benzothiazole?
The CAS number of 4-Acetoxy-2-(4-methylphenyl)benzothiazole is 122589-79-1.
What is the molecular formula of 4-Acetoxy-2-(4-methylphenyl)benzothiazole?
The molecular formula of 4-Acetoxy-2-(4-methylphenyl)benzothiazole is C16H13NO2S.
What is the molecular weight of 4-Acetoxy-2-(4-methylphenyl)benzothiazole?
The molecular weight of 4-Acetoxy-2-(4-methylphenyl)benzothiazole is 283.0667 g/mol.
Where can I buy 4-Acetoxy-2-(4-methylphenyl)benzothiazole?
You can request a quote for 4-Acetoxy-2-(4-methylphenyl)benzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Acetoxy-2-(4-methylphenyl)benzothiazole?
Yes, CoreyChem provides custom synthesis services for 4-Acetoxy-2-(4-methylphenyl)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.