![2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide structure](/static/products/899/899996-01-1.png)
2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide
TL;DR: 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide (CAS 899996-01-1) is a chemical compound with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: F2749-0127, 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione, 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one, 2-[3-(1-indolinyl)-3-oxopropyl]-1-oxo-3-oxo-2,3-dihydro-1H-1lambda,2-benzisothiazol-1-ium-1-olate
| Molecular Formula | C18H16N2O4S |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 1.8105 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.08307 |
| Heavy Atoms | 25 |
| Complexity | 984.0755 |
Chemical Identifiers
| CAS Number | 899996-01-1 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CCN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide (CAS 899996-01-1), with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol. IUPAC: 2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide
Property Insights of 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide
The XLogP value of 1.8105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide. Following Lipinski's Rule of Five, 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 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 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide?
The CAS number of 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide is 899996-01-1.
What is the molecular formula of 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide?
The molecular formula of 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide is C18H16N2O4S.
What is the molecular weight of 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide?
The molecular weight of 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide is 356.08 g/mol.
Where can I buy 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide?
You can request a quote for 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 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 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(indolin-1-yl)-3-oxopropyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.