![ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate structure](/static/products/884/88406-71-7.png)
ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate
TL;DR: ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate (CAS 88406-71-7) is a chemical compound with molecular formula C12H15NO5S2 and molecular weight 317.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate
Also Known As: ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate, ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithi, ethyl 2-cyano(ethoxycarbonyl)methylene-4-hydroxy-1,3-dithiolane-4-acetate, ETHYL 2-CYANO-2-[4-(ETHOXYCARBONYLMETHYL)-4-HYDROXY-1,3-DITHIOLAN-2-YLIDENE]ACETATE, Ethyl cyano[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate
| Molecular Formula | C12H15NO5S2 |
|---|---|
| Molecular Weight | 317.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 317.03915 |
| Heavy Atoms | 20 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 88406-71-7 |
|---|---|
| SMILES | CCOC(=O)CC1(CSC(=C(C#N)C(=O)OCC)S1)O |
| InChIKey | NOXVUGDNHZEFQJ-UHFFFAOYSA-N |
Product Overview
ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate (CAS 88406-71-7), with molecular formula C12H15NO5S2 and molecular weight 317.04 g/mol. IUPAC: ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate.
Chemical Property Profile of ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate
Property Insights of ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate. The TPSA of 147.0 Ų indicates high polarity, suggesting ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate has 1 hydrogen bond donor(s) and 8 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 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate?
The CAS number of ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate is 88406-71-7.
What is the molecular formula of ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate?
The molecular formula of ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate is C12H15NO5S2.
What is the molecular weight of ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate?
The molecular weight of ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate is 317.04 g/mol.
Where can I buy ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate?
You can request a quote for ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-4-hydroxy-1,3-dithiolan-2-ylidene]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.