![Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate structure](/static/products/576/57666-04-3.png)
Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate
TL;DR: Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate (CAS 57666-04-3) is a chemical compound with molecular formula C14H17NO2S and molecular weight 263.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-methyl-3-methylsulfanylindol-2-yl)acetate
Also Known As: TimTec1_000333, BAS 01507562, ethyl 1-methyl-3-methylthio-2-indolylacetate, ethyl 2-(1-methyl-3-methylthioindol-2-yl)acetate, Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate
| Molecular Formula | C14H17NO2S |
|---|---|
| Molecular Weight | 263.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.098 |
| Heavy Atoms | 18 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 57666-04-3 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C2=CC=CC=C2N1C)SC |
| InChIKey | YQRSRAUOGSMWMP-UHFFFAOYSA-N |
Product Overview
Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate (CAS 57666-04-3), with molecular formula C14H17NO2S and molecular weight 263.10 g/mol. IUPAC: ethyl 2-(1-methyl-3-methylsulfanylindol-2-yl)acetate.
Chemical Property Profile of Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate
Property Insights of Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate. With a topological polar surface area (TPSA) of 56.5 Ų, Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate 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 Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate?
The CAS number of Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate is 57666-04-3.
What is the molecular formula of Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate?
The molecular formula of Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate is C14H17NO2S.
What is the molecular weight of Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate?
The molecular weight of Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate is 263.10 g/mol.
Where can I buy Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate?
You can request a quote for Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [1-methyl-3-(methylsulfanyl)-1H-indol-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.