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5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester structure
Fine Chemical

5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester

TL;DR: 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester (CAS 113508-94-4) is a chemical compound with molecular formula C13H12N2O3S and molecular weight 276.05685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

ethyl 8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylate

Also Known As: 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester, ethyl 8-methoxyimidazo[2,1-b][1,3]benzothiazole-2-carboxylate, ethyl 12-methoxy-7-thia-2,5-diazatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene-4-carboxylate

CAS Number
113508-94-4
Molecular Formula
C13H12N2O3S
Molecular Weight
276.05685 g/mol
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Technical Specifications

Molecular FormulaC13H12N2O3S
Molecular Weight276.05685 g/mol
XLogP3.8
Topological Polar Surface Area (TPSA)81.1 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors5
Rotatable Bonds4
Exact Mass276.05685 Da
Heavy Atoms19
Complexity355.0
SMILESCCOC(=O)C1=CN2C3=C(C=CC=C3SC2=N1)OC
InChIKeyPCKNOZQFVUGRDR-UHFFFAOYSA-N

Chemical Property Profile of 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester

XLogP
3.8
TPSA (Topological Polar Surface Area)
81.1
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
4
Heavy Atoms
19
Complexity
355.0
Exact Mass
276.05685
Monoisotopic Mass
276.05685
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester

The XLogP value of 3.8 indicates that 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester?

The CAS number of 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester is 113508-94-4.

What is the molecular formula of 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester?

The molecular formula of 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester is C13H12N2O3S.

What is the molecular weight of 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester?

The molecular weight of 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester is 276.05685 g/mol.

Where can I buy 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester?

You can request a quote for 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester?

Yes, CoreyChem provides custom synthesis services for 5-Methoxyimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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