![ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate structure](/static/products/306/306746-33-8.png)
ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate
TL;DR: ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate (CAS 306746-33-8) is a chemical compound with molecular formula C15H16N2O2S and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-1-methylindol-2-yl)methylsulfanyl]acetate
Also Known As: BAS 01508349, ethyl 2-[(3-cyano-1-methylindol-2-yl)methylthio]acetate, ethyl 2-[(3-cyano-1-methylindol-2-yl)methylsulfanyl]acetate, Ethyl ([(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl)acetate #, ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate
| Molecular Formula | C15H16N2O2S |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 288.09326 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 306746-33-8 |
|---|---|
| SMILES | CCOC(=O)CSCC1=C(C2=CC=CC=C2N1C)C#N |
| InChIKey | WFCFLLVVGKUELW-UHFFFAOYSA-N |
Product Overview
ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate (CAS 306746-33-8), with molecular formula C15H16N2O2S and molecular weight 288.09 g/mol. IUPAC: ethyl 2-[(3-cyano-1-methylindol-2-yl)methylsulfanyl]acetate.
Chemical Property Profile of ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate
Property Insights of ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate. Following Lipinski's Rule of Five, ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate 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 ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate?
The CAS number of ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate is 306746-33-8.
What is the molecular formula of ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate?
The molecular formula of ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate is C15H16N2O2S.
What is the molecular weight of ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate?
The molecular weight of ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate is 288.09 g/mol.
Where can I buy ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate?
You can request a quote for ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl {[(3-cyano-1-methyl-1H-indol-2-yl)methyl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.