2-(1,2-Benzothiazol-3-yl)ethyl acetate
TL;DR: 2-(1,2-Benzothiazol-3-yl)ethyl acetate (CAS 55712-48-6) 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.
2-(1,2-benzothiazol-3-yl)ethyl acetate
Also Known As: 2-(1,2-benzothiazol-3-yl)ethyl acetate, 1,2-Benzisothiazole-3-ethanol, acetate (ester), 2-(1,2-Benzisothiazol-3-yl)ethyl acetate, 2-(1,2-Benzisothiazol-3-yl)ethyl acetate #, Acetic acid 2-(1,2-benzisothiazol-3-yl)ethyl ester
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.5 |
| 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 | 55712-48-6 |
|---|---|
| SMILES | CC(=O)OCCC1=NSC2=CC=CC=C21 |
| InChIKey | KGKHNFPAMRTSNW-UHFFFAOYSA-N |
Product Overview
2-(1,2-Benzothiazol-3-yl)ethyl acetate (CAS 55712-48-6), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: 2-(1,2-benzothiazol-3-yl)ethyl acetate.
Chemical Property Profile of 2-(1,2-Benzothiazol-3-yl)ethyl acetate
Property Insights of 2-(1,2-Benzothiazol-3-yl)ethyl acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,2-Benzothiazol-3-yl)ethyl acetate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,2-Benzothiazol-3-yl)ethyl acetate. Following Lipinski's Rule of Five, 2-(1,2-Benzothiazol-3-yl)ethyl 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 2-(1,2-Benzothiazol-3-yl)ethyl acetate?
The CAS number of 2-(1,2-Benzothiazol-3-yl)ethyl acetate is 55712-48-6.
What is the molecular formula of 2-(1,2-Benzothiazol-3-yl)ethyl acetate?
The molecular formula of 2-(1,2-Benzothiazol-3-yl)ethyl acetate is C11H11NO2S.
What is the molecular weight of 2-(1,2-Benzothiazol-3-yl)ethyl acetate?
The molecular weight of 2-(1,2-Benzothiazol-3-yl)ethyl acetate is 221.05 g/mol.
Where can I buy 2-(1,2-Benzothiazol-3-yl)ethyl acetate?
You can request a quote for 2-(1,2-Benzothiazol-3-yl)ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,2-Benzothiazol-3-yl)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,2-Benzothiazol-3-yl)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.