Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide
TL;DR: Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide (CAS 106799-57-9) is a chemical compound with molecular formula C10H9NO5S and molecular weight 255.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,1,3-trioxo-1,2-benzothiazole-2-carboxylate
Also Known As: N-Karbetoksi-saharin, N-Carbethoxysaccharine, N-carboethoxysaccharin, NIOSH/DE4166000, N-Karbetoksi-saharin [Yugoslavian]
| Molecular Formula | C10H9NO5S |
|---|---|
| Molecular Weight | 255.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.02014 |
| Heavy Atoms | 17 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 106799-57-9 |
|---|---|
| SMILES | CCOC(=O)N1C(=O)C2=CC=CC=C2S1(=O)=O |
| InChIKey | QOEKNIMYWGWETQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide (CAS 106799-57-9), with molecular formula C10H9NO5S and molecular weight 255.02 g/mol. IUPAC: ethyl 1,1,3-trioxo-1,2-benzothiazole-2-carboxylate.
Chemical Property Profile of Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide
Property Insights of Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide. Following Lipinski's Rule of Five, Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide 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 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide?
The CAS number of Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide is 106799-57-9.
What is the molecular formula of Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide?
The molecular formula of Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide is C10H9NO5S.
What is the molecular weight of Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide?
The molecular weight of Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide is 255.02 g/mol.
Where can I buy Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide?
You can request a quote for Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-1,2-benzothiazole-2(3h)-carboxylate 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.