1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide
TL;DR: 1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide (CAS 27148-07-8) is a chemical compound with molecular formula C10H11NO3S and molecular weight 225.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2-propyl-1,2-benzothiazol-3-one
Also Known As: N-Propylsaccharin, N-Propyl saccharin, 1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide, 1,1-dioxo-2-propyl-1,2-benzothiazol-3-one, 1,2-Benzisothiazolin-3-one, 2-propyl-, 1,1-dioxide
| Molecular Formula | C10H11NO3S |
|---|---|
| Molecular Weight | 225.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.04596 |
| Heavy Atoms | 15 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 27148-07-8 |
|---|---|
| SMILES | CCCN1C(=O)C2=CC=CC=C2S1(=O)=O |
| InChIKey | ZQAJMKNVQVOICB-UHFFFAOYSA-N |
Product Overview
1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide (CAS 27148-07-8), with molecular formula C10H11NO3S and molecular weight 225.05 g/mol. IUPAC: 1,1-dioxo-2-propyl-1,2-benzothiazol-3-one.
Chemical Property Profile of 1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide
Property Insights of 1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide. Following Lipinski's Rule of Five, 1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 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(2H)-one, 2-propyl-, 1,1-dioxide?
The CAS number of 1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide is 27148-07-8.
What is the molecular formula of 1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide?
The molecular formula of 1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide is C10H11NO3S.
What is the molecular weight of 1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide?
The molecular weight of 1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide is 225.05 g/mol.
Where can I buy 1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide?
You can request a quote for 1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 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(2H)-one, 2-propyl-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazol-3(2H)-one, 2-propyl-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.