1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide
TL;DR: 1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide (CAS 6296-34-0) is a chemical compound with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-1,1-dioxo-1,2-benzothiazol-3-amine
Also Known As: KST-1B6494, 1,2-benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide, N,N-diethyl-1,1-dioxo-1,2-benzothiazol-3-amine, 3-diethylaminobenzoisothiazole 1,1-dioxide, BIM-0007305.P001
| Molecular Formula | C11H14N2O2S |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.0776 |
| Heavy Atoms | 16 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 6296-34-0 |
|---|---|
| SMILES | CCN(CC)C1=NS(=O)(=O)C2=CC=CC=C21 |
| InChIKey | NUWGZZNUFALTCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide (CAS 6296-34-0), with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol. IUPAC: N,N-diethyl-1,1-dioxo-1,2-benzothiazol-3-amine.
Chemical Property Profile of 1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide
Property Insights of 1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide. With a topological polar surface area (TPSA) of 58.1 Ų, 1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide 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 1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide?
The CAS number of 1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide is 6296-34-0.
What is the molecular formula of 1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide?
The molecular formula of 1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide is C11H14N2O2S.
What is the molecular weight of 1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide?
The molecular weight of 1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide is 238.08 g/mol.
Where can I buy 1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide?
You can request a quote for 1,2-Benzisothiazol-3-amine, n,n-diethyl-, 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 1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazol-3-amine, n,n-diethyl-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.