3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione
TL;DR: 3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione (CAS 866153-78-8) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-N,N-bis(prop-2-enyl)-1,2-benzothiazol-3-amine
Also Known As: 3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione, 3-(Diallylamino)benzo[d]isothiazole 1,1-dioxide, 1,1-dioxo-N,N-bis(prop-2-enyl)-1,2-benzothiazol-3-amine, 3-[bis(prop-2-en-1-yl)amino]-1lambda6,2-benzothiazole-1,1-dione, N,N-diallyl-1,1-dioxo-1,2-benzothiazol-3-amine
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 1.8095 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 607.63336 |
Chemical Identifiers
| CAS Number | 866153-78-8 |
|---|---|
| SMILES | C=CCN(CC=C)C1=NS(=O)(=O)C2=CC=CC=C21 |
Product Overview
3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione (CAS 866153-78-8), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: 1,1-dioxo-N,N-bis(prop-2-enyl)-1,2-benzothiazol-3-amine.
Chemical Property Profile of 3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione
Property Insights of 3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione
The XLogP value of 1.8095 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione. With a topological polar surface area (TPSA) of 49.74 Ų, 3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione has 0 hydrogen bond donor(s) and 3 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-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione?
The CAS number of 3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione is 866153-78-8.
What is the molecular formula of 3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione?
The molecular formula of 3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione is C13H14N2O2S.
What is the molecular weight of 3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione?
The molecular weight of 3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione is 262.08 g/mol.
Where can I buy 3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione?
You can request a quote for 3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(diallylamino)-1H-1,2-benzisothiazole-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.