![Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate structure](/static/products/810/81021-96-7.png)
Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
TL;DR: Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate (CAS 81021-96-7) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
Also Known As: ethyl 7-methylimidazo[2,1-b]benzothiazole-2-carboxylate, ethyl 7-methylimidazo[2,1-b]-benzthiazole-2-carboxylate, ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate, ethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate, 7-METHYLIMIDAZO[2,1-B]BENZOTHIAZOLE-2-CARBOXYLICACIDETHYLESTER
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 81021-96-7 |
|---|---|
| SMILES | CCOC(=O)C1=CN2C3=C(C=C(C=C3)C)SC2=N1 |
| InChIKey | DHUOZZWPEJRSGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate (CAS 81021-96-7), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: ethyl 6-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate.
Chemical Property Profile of Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
Property Insights of Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
The XLogP value of 4.2 indicates that Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The CAS number of Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate is 81021-96-7.
What is the molecular formula of Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The molecular formula of Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate is C13H12N2O2S.
What is the molecular weight of Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The molecular weight of Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate is 260.06 g/mol.
Where can I buy Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
You can request a quote for Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.