Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate
TL;DR: Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate (CAS 103646-25-9) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-1,3-benzothiazole-6-carboxylate
Also Known As: ethyl 2-methyl-1,3-benzothiazole-6-carboxylate, ethyl 2-methylbenzo[d]thiazole-6-carboxylate, ethylmethylbenzothiazolecarboxylate, 0874AA, ethyl 2-methylbenzothiazole-6-carboxylate
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 103646-25-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N=C(S2)C |
| InChIKey | XLUVVPRHNXGQJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate (CAS 103646-25-9), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: ethyl 2-methyl-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate
Property Insights of Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate
The XLogP value of 3.0 indicates that Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate 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 Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-methyl-1,3-benzothiazole-6-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 2-methyl-1,3-benzothiazole-6-carboxylate?
The CAS number of Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate is 103646-25-9.
What is the molecular formula of Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate?
The molecular formula of Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate is C11H11NO2S.
What is the molecular weight of Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate?
The molecular weight of Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate is 221.05 g/mol.
Where can I buy Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate?
You can request a quote for Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.