1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide
TL;DR: 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide (CAS 26385-34-2) is a chemical compound with molecular formula C11H13NO4S and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl)acetate
Also Known As: 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide, ethyl(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-3-yl)acetate, 1,2-Benzisothiazole-3-acetic acid, 2,3-dihydro-, ethyl ester, 1,1-dioxide, ethyl 2-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl)acetate, Ethyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate
| Molecular Formula | C11H13NO4S |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.05653 |
| Heavy Atoms | 17 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 26385-34-2 |
|---|---|
| SMILES | CCOC(=O)CC1C2=CC=CC=C2S(=O)(=O)N1 |
| InChIKey | ZBVXOHSYIZHTMT-UHFFFAOYSA-N |
Product Overview
1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide (CAS 26385-34-2), with molecular formula C11H13NO4S and molecular weight 255.06 g/mol. IUPAC: ethyl 2-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl)acetate.
Chemical Property Profile of 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide
Property Insights of 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide. Following Lipinski's Rule of Five, 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide has 1 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 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide?
The CAS number of 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide is 26385-34-2.
What is the molecular formula of 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide?
The molecular formula of 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide is C11H13NO4S.
What is the molecular weight of 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide?
The molecular weight of 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide is 255.06 g/mol.
Where can I buy 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide?
You can request a quote for 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 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 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazoline-3-acetic acid, ethyl ester, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.