![1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one structure](/static/products/1217/1217989-59-7.webp)
1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one
TL;DR: 1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one (CAS 1217989-59-7) is a chemical compound with molecular formula C13H11NO6S and molecular weight 309.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one
Also Known As: ZERO/003012, 1,1-dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one, 2-[(2S,5R)-4-Oxo-6,8-dioxabicyclo[3.2.1]oct-2-yl]-1,2-benzisothiazol-3(2H)-one 1,1-dioxide,
2-[(2S,5R)-4-Oxo-6,8-dioxabicyclo[3.2.1]oct-2-yl]-1H-1,2-benzisothiazole-1, 1,3(2H)-trione
| Molecular Formula | C13H11NO6S |
|---|---|
| Molecular Weight | 309.03 g/mol |
| LogP | -0.086 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.0307 |
| Heavy Atoms | 21 |
| Complexity | 757.67993 |
Chemical Identifiers
| CAS Number | 1217989-59-7 |
|---|---|
| SMILES | C1C(C2COC(C1=O)O2)N3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one (CAS 1217989-59-7), with molecular formula C13H11NO6S and molecular weight 309.03 g/mol. IUPAC: 1,1-dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one.
Chemical Property Profile of 1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one
Property Insights of 1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one
The XLogP value of -0.086 indicates that 1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one. Following Lipinski's Rule of Five, 1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one has 0 hydrogen bond donor(s) and 6 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 1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one?
The CAS number of 1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one is 1217989-59-7.
What is the molecular formula of 1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one?
The molecular formula of 1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one is C13H11NO6S.
What is the molecular weight of 1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one?
The molecular weight of 1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one is 309.03 g/mol.
Where can I buy 1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one?
You can request a quote for 1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dioxo-2-(4-oxo-6,8-dioxabicyclo[3.2.1]octan-2-yl)-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.