![3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide structure](/static/products/1360/13604-36-9.webp)
3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide
TL;DR: 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide (CAS 13604-36-9) is a chemical compound with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-N-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]butan-2-imine
Also Known As: (Z)-N-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]butan-2-imine, 2-Butanone, O-1,2-benzisothiazol-3-yloxime 1,1-dioxide, 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide
| Molecular Formula | C11H12N2O3S |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 1.938 |
| Topological Polar Surface Area | 68.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.05687 |
| Heavy Atoms | 17 |
| Complexity | 602.89746 |
Chemical Identifiers
| CAS Number | 13604-36-9 |
|---|---|
| SMILES | CC/C(=N\OC1=NS(=O)(=O)C2=CC=CC=C21)/C |
Product Overview
3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide (CAS 13604-36-9), with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol. IUPAC: (Z)-N-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]butan-2-imine.
Chemical Property Profile of 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide
Property Insights of 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide
The XLogP value of 1.938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide. The TPSA of 68.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide. Following Lipinski's Rule of Five, 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide has 0 hydrogen bond donor(s) and 4 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 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide?
The CAS number of 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide is 13604-36-9.
What is the molecular formula of 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide?
The molecular formula of 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide is C11H12N2O3S.
What is the molecular weight of 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide?
The molecular weight of 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide is 252.06 g/mol.
Where can I buy 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide?
You can request a quote for 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 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 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-[[(1-Methylpropylidene)amino]oxy]-1,2-benzisothiazole 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.