Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate
TL;DR: Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate (CAS 313371-32-3) is a chemical compound with molecular formula C11H11NO3S and molecular weight 237.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate
Also Known As: ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate, Ethyl 6-methoxybenzothiazole-2-carboxylate, Ethyl6-methoxybenzo[d]thiazole-2-carboxylate, Ethyl 6-methoxybenzo[d]thiazole-2-carboxylate, 2-Benzothiazolecarboxylic acid, 6-methoxy-, ethyl ester
| Molecular Formula | C11H11NO3S |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 2.4816 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.04596 |
| Heavy Atoms | 16 |
| Complexity | 520.9241 |
Chemical Identifiers
| CAS Number | 313371-32-3 |
|---|---|
| SMILES | CCOC(=O)C1=NC2=C(S1)C=C(C=C2)OC |
Product Overview
Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate (CAS 313371-32-3), with molecular formula C11H11NO3S and molecular weight 237.05 g/mol. IUPAC: ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate.
Chemical Property Profile of Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate
Property Insights of Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate
The XLogP value of 2.4816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate. With a topological polar surface area (TPSA) of 48.42 Ų, Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate 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
Frequently Asked Questions
What is the CAS number of Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate?
The CAS number of Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate is 313371-32-3.
What is the molecular formula of Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate?
The molecular formula of Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate is C11H11NO3S.
What is the molecular weight of Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate?
The molecular weight of Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate is 237.05 g/mol.
Where can I buy Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate?
You can request a quote for Ethyl 6-methoxy-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 6-methoxy-1,3-benzothiazole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-methoxy-1,3-benzothiazole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.