1,2-Benzisothiazole, 3-ethoxy-
TL;DR: 1,2-Benzisothiazole, 3-ethoxy- (CAS 34263-64-4) is a chemical compound with molecular formula C9H9NOS and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethoxy-1,2-benzothiazole
Also Known As: 3-ethoxy-1,2-benzothiazole, 3-Ethoxybenzo[d]isothiazole, 1,2-Benzisothiazole, 3-ethoxy-, CHEMHERE CHEM96645, 3-Ethoxy-1,2-benxisothiazole
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 34263-64-4 |
|---|---|
| SMILES | CCOC1=NSC2=CC=CC=C21 |
| InChIKey | WELJACUPHOSDSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzisothiazole, 3-ethoxy- (CAS 34263-64-4), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: 3-ethoxy-1,2-benzothiazole.
Chemical Property Profile of 1,2-Benzisothiazole, 3-ethoxy-
Property Insights of 1,2-Benzisothiazole, 3-ethoxy-
The XLogP value of 3.0 indicates that 1,2-Benzisothiazole, 3-ethoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, 1,2-Benzisothiazole, 3-ethoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisothiazole, 3-ethoxy- has 0 hydrogen bond donor(s) and 3 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 1,2-Benzisothiazole, 3-ethoxy-?
The CAS number of 1,2-Benzisothiazole, 3-ethoxy- is 34263-64-4.
What is the molecular formula of 1,2-Benzisothiazole, 3-ethoxy-?
The molecular formula of 1,2-Benzisothiazole, 3-ethoxy- is C9H9NOS.
What is the molecular weight of 1,2-Benzisothiazole, 3-ethoxy-?
The molecular weight of 1,2-Benzisothiazole, 3-ethoxy- is 179.04 g/mol.
Where can I buy 1,2-Benzisothiazole, 3-ethoxy-?
You can request a quote for 1,2-Benzisothiazole, 3-ethoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisothiazole, 3-ethoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazole, 3-ethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.