![Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate structure](/static/products/884/88406-73-9.png)
Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate
TL;DR: Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate (CAS 88406-73-9) is a chemical compound with molecular formula C12H13NO4S2 and molecular weight 299.03 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)-1,3-dithiol-2-ylidene]acetate
Also Known As: ethyl (2E)-2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-, ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate
| Molecular Formula | C12H13NO4S2 |
|---|---|
| Molecular Weight | 299.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 299.0286 |
| Heavy Atoms | 19 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 88406-73-9 |
|---|---|
| SMILES | CCOC(=O)CC1=CSC(=C(C#N)C(=O)OCC)S1 |
| InChIKey | HUUBQSDMMNHPDK-UHFFFAOYSA-N |
Product Overview
Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate (CAS 88406-73-9), with molecular formula C12H13NO4S2 and molecular weight 299.03 g/mol. IUPAC: ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate.
Chemical Property Profile of Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate
Property Insights of Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate. Following Lipinski's Rule of Five, Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate has 0 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 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate?
The CAS number of Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate is 88406-73-9.
What is the molecular formula of Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate?
The molecular formula of Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate is C12H13NO4S2.
What is the molecular weight of Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate?
The molecular weight of Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate is 299.03 g/mol.
Where can I buy Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate?
You can request a quote for Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-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)-1,3-dithiol-2-ylidene]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-2-[4-(2-ethoxy-2-oxoethyl)-1,3-dithiol-2-ylidene]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.