![Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate structure](/static/products/884/88406-72-8.png)
Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate
TL;DR: Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate (CAS 88406-72-8) is a chemical compound with molecular formula C10H10N2O3S2 and molecular weight 270.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate
Also Known As: ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate, ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl, Ethyl [2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate
| Molecular Formula | C10H10N2O3S2 |
|---|---|
| Molecular Weight | 270.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.01328 |
| Heavy Atoms | 17 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 88406-72-8 |
|---|---|
| SMILES | CCOC(=O)CC1(CSC(=C(C#N)C#N)S1)O |
| InChIKey | QNYMAJBHVJIUMT-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate (CAS 88406-72-8), with molecular formula C10H10N2O3S2 and molecular weight 270.01 g/mol. IUPAC: ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate.
Chemical Property Profile of Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate
Property Insights of Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate. The TPSA of 145.0 Ų indicates high polarity, suggesting Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate has 1 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-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate?
The CAS number of Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate is 88406-72-8.
What is the molecular formula of Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate?
The molecular formula of Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate is C10H10N2O3S2.
What is the molecular weight of Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate?
The molecular weight of Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate is 270.01 g/mol.
Where can I buy Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate?
You can request a quote for Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-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 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[2-(dicyanomethylidene)-4-hydroxy-1,3-dithiolan-4-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.