![ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate structure](/static/products/799/799786-61-1.png)
ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate
TL;DR: ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate (CAS 799786-61-1) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanylacetate
Also Known As: (Z)-ethyl 2-((2-cyano-1-imino-3-(1H-indol-3-yl)allyl)thio)acetate, ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 3.34845 |
| Topological Polar Surface Area | 89.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 771.03406 |
Chemical Identifiers
| CAS Number | 799786-61-1 |
|---|---|
| SMILES | CCOC(=O)CSC(=N)/C(=C\C1=CNC2=CC=CC=C21)/C#N |
Product Overview
ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate (CAS 799786-61-1), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: ethyl 2-[(Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanylacetate.
Chemical Property Profile of ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate
Property Insights of ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate
The XLogP value of 3.34845 indicates that ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate. Following Lipinski's Rule of Five, ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate has 2 hydrogen bond donor(s) and 5 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 {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate?
The CAS number of ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate is 799786-61-1.
What is the molecular formula of ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate?
The molecular formula of ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate is C16H15N3O2S.
What is the molecular weight of ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate?
The molecular weight of ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate is 313.09 g/mol.
Where can I buy ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate?
You can request a quote for ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]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 {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl {[(2Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enimidoyl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.