![Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate structure](/static/products/810/81021-98-9.png)
Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
TL;DR: Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate (CAS 81021-98-9) is a chemical compound with molecular formula C12H9BrN2O2S and molecular weight 323.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
Also Known As: ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate, ethyl 1-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate, ethyl 3-bromo-7-thia-2,5-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaene-4-carboxylate, Ethyl 3-bromoimidazo[2,1-b]benzothiazole-2-carboxylate, Ethyl 3-bromoimidazo2,1-b1,3benzothiazole-2-carboxylate
| Molecular Formula | C12H9BrN2O2S |
|---|---|
| Molecular Weight | 323.96 g/mol |
| LogP | 3.4882 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 323.95682 |
| Heavy Atoms | 18 |
| Complexity | 747.0344 |
Chemical Identifiers
| CAS Number | 81021-98-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N2C3=CC=CC=C3SC2=N1)Br |
Product Overview
Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate (CAS 81021-98-9), with molecular formula C12H9BrN2O2S and molecular weight 323.96 g/mol. IUPAC: ethyl 1-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate.
Chemical Property Profile of Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
Property Insights of Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate
The XLogP value of 3.4882 indicates that Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-bromoimidazo[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 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The CAS number of Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate is 81021-98-9.
What is the molecular formula of Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The molecular formula of Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate is C12H9BrN2O2S.
What is the molecular weight of Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
The molecular weight of Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate is 323.96 g/mol.
Where can I buy Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
You can request a quote for Ethyl 3-bromoimidazo[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 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-bromoimidazo[2,1-b][1,3]benzothiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.