Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
TL;DR: Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate (CAS 951-41-7) 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 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
Also Known As: ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate, ethyl (2-oxo-1,3-benzothiazol-3(2H)-yl)acetate, BAS 08977205, ethyl 2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetate, Ethyl 2-(2-oxobenzo[d]thiazol-3(2H)-yl)acetate
| Molecular Formula | C11H11NO3S |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.04596 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 951-41-7 |
|---|---|
| SMILES | CCOC(=O)CN1C2=CC=CC=C2SC1=O |
| InChIKey | QKPHEMXJJWXMRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate (CAS 951-41-7), with molecular formula C11H11NO3S and molecular weight 237.05 g/mol. IUPAC: ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate.
Chemical Property Profile of Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
Property Insights of Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate 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-(2-oxo-1,3-benzothiazol-3-yl)acetate?
The CAS number of Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate is 951-41-7.
What is the molecular formula of Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate?
The molecular formula of Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate is C11H11NO3S.
What is the molecular weight of Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate?
The molecular weight of Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate is 237.05 g/mol.
Where can I buy Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate?
You can request a quote for Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.