6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one
TL;DR: 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one (CAS 148193-38-8) is a chemical compound with molecular formula C13H13NO4S and molecular weight 279.05652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethyl)-1,2-benzothiazol-3-one
Also Known As: 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one, 1,2-Benzisothiazol-3(2H)-one, 6-(oxiranylmethoxy)-2-(oxiranylmethyl)-, 2-(Oxiranylmethyl)-6-(oxiranylmethoxy)-1,2-benzisothiazol-3(2H)-one, 6-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethyl)-1,2-benzothiazol-3-one, 6-[(Oxiran-2-yl)methoxy]-2-[(oxiran-2-yl)methyl]-1,2-benzothiazol-3(2H)-one
Technical Specifications
| Molecular Formula | C13H13NO4S |
| Molecular Weight | 279.05652 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 79.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.05652 Da |
| Heavy Atoms | 19 |
| Complexity | 380.0 |
| SMILES | C1C(O1)CN2C(=O)C3=C(S2)C=C(C=C3)OCC4CO4 |
| InChIKey | DOOGHBKWJLYRGQ-UHFFFAOYSA-N |
Chemical Property Profile of 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one
Property Insights of 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one. Following Lipinski's Rule of Five, 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one?
The CAS number of 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one is 148193-38-8.
What is the molecular formula of 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one?
The molecular formula of 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one is C13H13NO4S.
What is the molecular weight of 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one?
The molecular weight of 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one is 279.05652 g/mol.
Where can I buy 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one?
You can request a quote for 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one?
Yes, CoreyChem provides custom synthesis services for 6-(Oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.