![2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide structure](/static/products/918/91803-89-3.png)
2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide
TL;DR: 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide (CAS 91803-89-3) is a chemical compound with molecular formula C19H19N3O6S2 and molecular weight 449.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[methyl-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]amino]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide, 2-[2-[methyl-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]amino]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one, 1,2-Benzisothiazolin-3-one,2,2'-[(methylimino)diethylene]di-,1,1,1',1'-tetraoxide(8ci), 1,2-Benzisothiazolin-3-one,2,2'-[(methylimino)diethylene]di-, 1,1,1',1'-tetraoxide (8CI), 2,2'-[(Methylazanediyl)di(ethane-2,1-diyl)]di(1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione)
| Molecular Formula | C19H19N3O6S2 |
|---|---|
| Molecular Weight | 449.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.07153 |
| Heavy Atoms | 30 |
| Complexity | 834.0 |
Chemical Identifiers
| CAS Number | 91803-89-3 |
|---|---|
| SMILES | CN(CCN1C(=O)C2=CC=CC=C2S1(=O)=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O |
| InChIKey | PVUCFNGTVZMSGV-UHFFFAOYSA-N |
Product Overview
2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide (CAS 91803-89-3), with molecular formula C19H19N3O6S2 and molecular weight 449.07 g/mol. IUPAC: 2-[2-[methyl-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]amino]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide
Property Insights of 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide. Following Lipinski's Rule of Five, 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide has 0 hydrogen bond donor(s) and 7 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 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide?
The CAS number of 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide is 91803-89-3.
What is the molecular formula of 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide?
The molecular formula of 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide is C19H19N3O6S2.
What is the molecular weight of 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide?
The molecular weight of 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide is 449.07 g/mol.
Where can I buy 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide?
You can request a quote for 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-[(methylimino)diethane-2,1-diyl]bis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.