![2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one structure](/static/products/875/875529-47-8.png)
2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
TL;DR: 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one (CAS 875529-47-8) is a chemical compound with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Also Known As: BAS 14459607, 2-(2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide, 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one, 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,2-benzothiazol-3(2H)-one 1,1-dioxide
| Molecular Formula | C18H14N2O4S |
|---|---|
| Molecular Weight | 354.07 g/mol |
| LogP | 2.50372 |
| Topological Polar Surface Area | 87.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.0674 |
| Heavy Atoms | 25 |
| Complexity | 1144.8474 |
Chemical Identifiers
| CAS Number | 875529-47-8 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one (CAS 875529-47-8), with molecular formula C18H14N2O4S and molecular weight 354.07 g/mol. IUPAC: 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
Property Insights of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
The XLogP value of 2.50372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one. The TPSA of 87.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one. Following Lipinski's Rule of Five, 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one has 1 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-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The CAS number of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one is 875529-47-8.
What is the molecular formula of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular formula of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one is C18H14N2O4S.
What is the molecular weight of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The molecular weight of 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one is 354.07 g/mol.
Where can I buy 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
You can request a quote for 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.