Ethyl 1,2-benzisothiazol-3-ylacetate
TL;DR: Ethyl 1,2-benzisothiazol-3-ylacetate (CAS 29266-67-9) 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.
ethyl 2-(1,2-benzothiazol-3-yl)acetate
Also Known As: ethyl 1,2-benzisothiazol-3-ylacetate, ethyl 2-benzo[d]isothiazol-3-ylacetate, ethyl 2-(1,2-benzothiazol-3-yl)acetate, 1,2-Benzisothiazol-3-yl-acetic acid ethyl ester, AA-516/30035019
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.4019 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 478.14758 |
Chemical Identifiers
| CAS Number | 29266-67-9 |
|---|---|
| SMILES | CCOC(=O)CC1=NSC2=CC=CC=C21 |
Product Overview
Ethyl 1,2-benzisothiazol-3-ylacetate (CAS 29266-67-9), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: ethyl 2-(1,2-benzothiazol-3-yl)acetate.
Chemical Property Profile of Ethyl 1,2-benzisothiazol-3-ylacetate
Property Insights of Ethyl 1,2-benzisothiazol-3-ylacetate
The XLogP value of 2.4019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,2-benzisothiazol-3-ylacetate. With a topological polar surface area (TPSA) of 39.19 Ų, Ethyl 1,2-benzisothiazol-3-ylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1,2-benzisothiazol-3-ylacetate 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 1,2-benzisothiazol-3-ylacetate?
The CAS number of Ethyl 1,2-benzisothiazol-3-ylacetate is 29266-67-9.
What is the molecular formula of Ethyl 1,2-benzisothiazol-3-ylacetate?
The molecular formula of Ethyl 1,2-benzisothiazol-3-ylacetate is C11H11NO2S.
What is the molecular weight of Ethyl 1,2-benzisothiazol-3-ylacetate?
The molecular weight of Ethyl 1,2-benzisothiazol-3-ylacetate is 221.05 g/mol.
Where can I buy Ethyl 1,2-benzisothiazol-3-ylacetate?
You can request a quote for Ethyl 1,2-benzisothiazol-3-ylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1,2-benzisothiazol-3-ylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,2-benzisothiazol-3-ylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.