![Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate structure](/static/products/6479/64792-49-0.webp)
Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate
TL;DR: Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate (CAS 64792-49-0) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-cyano-2-(2,2-dimethyloxan-4-ylidene)acetate
Also Known As: ethyl 2-cyano-2-(2,2-dimethyloxan-4-ylidene)acetate, Ethyl (2,2-dimethyl-4-tetrahydropyranylidene)cyanoacetate, ethyl (2E)-2-cyano-2-(2,2-dimethyloxan-4-ylidene)acetate, ETHYL 2-CYANO-2-[(4Z)-2,2-DIMETHYLOXAN-4-YLIDENE]ACETATE
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 1.95868 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 349.7656 |
Chemical Identifiers
| CAS Number | 64792-49-0 |
|---|---|
| SMILES | CCOC(=O)/C(=C/1\CCOC(C1)(C)C)/C#N |
Product Overview
Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate (CAS 64792-49-0), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: ethyl (2E)-2-cyano-2-(2,2-dimethyloxan-4-ylidene)acetate.
Chemical Property Profile of Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate
Property Insights of Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate
The XLogP value of 1.95868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate. With a topological polar surface area (TPSA) of 59.32 Ų, Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]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 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate?
The CAS number of Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate is 64792-49-0.
What is the molecular formula of Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate?
The molecular formula of Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate is C12H17NO3.
What is the molecular weight of Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate?
The molecular weight of Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate is 223.12 g/mol.
Where can I buy Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate?
You can request a quote for Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-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-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-2-[(4Z)-2,2-dimethyloxan-4-ylidene]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.