1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide
TL;DR: 1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide (CAS 53541-65-4) is a chemical compound with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrrolidin-1-yl-1,2-benzothiazole 1,1-dioxide
Also Known As: 3-(1-Pyrrolidinyl)-1,2-benzisothiazole 1,1-dioxide, 3-pyrrolidin-1-yl-1,2-benzothiazole 1,1-dioxide, 1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide, 3-(pyrrolidin-1-yl)-1,2-benzothiazole 1,1-dioxide, 3-pyrrolidin-1-yl-benzo[d]isothiazole 1,1-dioxide
| Molecular Formula | C11H12N2O2S |
|---|---|
| Molecular Weight | 236.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.06195 |
| Heavy Atoms | 16 |
| Complexity | 404.0 |
| Solubility | 31.4 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 53541-65-4 |
|---|---|
| SMILES | C1CCN(C1)C2=NS(=O)(=O)C3=CC=CC=C32 |
| InChIKey | JRECFGLTBSWLQK-UHFFFAOYSA-N |
Product Overview
1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide (CAS 53541-65-4), with molecular formula C11H12N2O2S and molecular weight 236.06 g/mol. IUPAC: 3-pyrrolidin-1-yl-1,2-benzothiazole 1,1-dioxide.
Chemical Property Profile of 1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide
Property Insights of 1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide. With a topological polar surface area (TPSA) of 58.1 Ų, 1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 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-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide?
The CAS number of 1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide is 53541-65-4.
What is the molecular formula of 1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide?
The molecular formula of 1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide is C11H12N2O2S.
What is the molecular weight of 1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide?
The molecular weight of 1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide is 236.06 g/mol.
Where can I buy 1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide?
You can request a quote for 1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 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-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.