![ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate structure](/static/products/7082/708229-71-4.webp)
ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate
TL;DR: ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate (CAS 708229-71-4) is a chemical compound with molecular formula C23H24N2O7S and molecular weight 472.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[2-hydroxy-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propoxy]-1,2-dimethylindole-3-carboxylate
Also Known As: ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate, ethyl 5-[2-hydroxy-3-(1,1,3-trioxo(2-hydrobenzo[d]isothiazol-2-yl))propoxy]-1, 2-dimethylindole-3-carboxylate, ethyl 5-[2-hydroxy-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propoxy]-1,2-dimethylindole-3-carboxylate, ethyl 5-[3-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate, ethyl 5-[3-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)-2-hydroxypropoxy]-1,2-dimethyl-1H-indole-3-carboxylate
| Molecular Formula | C23H24N2O7S |
|---|---|
| Molecular Weight | 472.13 g/mol |
| LogP | 2.24782 |
| Topological Polar Surface Area | 115.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.13043 |
| Heavy Atoms | 33 |
| Complexity | 1360.6322 |
Chemical Identifiers
| CAS Number | 708229-71-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(CN3C(=O)C4=CC=CC=C4S3(=O)=O)O)C)C |
Product Overview
ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate (CAS 708229-71-4), with molecular formula C23H24N2O7S and molecular weight 472.13 g/mol. IUPAC: ethyl 5-[2-hydroxy-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propoxy]-1,2-dimethylindole-3-carboxylate.
Chemical Property Profile of ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate
Property Insights of ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate
The XLogP value of 2.24782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate. The TPSA of 115.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate has 1 hydrogen bond donor(s) and 7 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 ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate?
The CAS number of ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate is 708229-71-4.
What is the molecular formula of ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate?
The molecular formula of ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate is C23H24N2O7S.
What is the molecular weight of ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate?
The molecular weight of ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate is 472.13 g/mol.
Where can I buy ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate?
You can request a quote for ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(3-(1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)-2-hydroxypropoxy)-1,2-dimethyl-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.