苯并噻唑-2-基乙酸乙酯
TL;DR: 苯并噻唑-2-基乙酸乙酯 (CAS 10447-10-6) 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.
苯并噻唑-2-基乙酸乙酯
ethyl 2-(1,3-benzothiazol-2-yl)acetate
Also Known As: ethyl 2-(benzo[d]thiazol-2-yl)acetate, Ethyl 2-(2-Benzothiazolyl)acetate, ethyl 2-(1,3-benzothiazol-2-yl)acetate, Ethyl 2-Benzothiazoleacetate, 2-BENZOTHIAZOLEACETIC ACID, ETHYL ESTER
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 10447-10-6 |
|---|---|
| SMILES | CCOC(=O)CC1=NC2=CC=CC=C2S1 |
| InChIKey | VYMJUZXFYAREJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯并噻唑-2-基乙酸乙酯 (CAS 10447-10-6), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: ethyl 2-(1,3-benzothiazol-2-yl)acetate.
Chemical Property Profile of 苯并噻唑-2-基乙酸乙酯
Property Insights of 苯并噻唑-2-基乙酸乙酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯并噻唑-2-基乙酸乙酯. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 苯并噻唑-2-基乙酸乙酯. Following Lipinski's Rule of Five, 苯并噻唑-2-基乙酸乙酯 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 苯并噻唑-2-基乙酸乙酯?
The CAS number of 苯并噻唑-2-基乙酸乙酯 is 10447-10-6.
What is the molecular formula of 苯并噻唑-2-基乙酸乙酯?
The molecular formula of 苯并噻唑-2-基乙酸乙酯 is C11H11NO2S.
What is the molecular weight of 苯并噻唑-2-基乙酸乙酯?
The molecular weight of 苯并噻唑-2-基乙酸乙酯 is 221.05 g/mol.
Where can I buy 苯并噻唑-2-基乙酸乙酯?
You can request a quote for 苯并噻唑-2-基乙酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯并噻唑-2-基乙酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 苯并噻唑-2-基乙酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.