(E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate
TL;DR: (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate (CAS 68018-96-2) is a chemical compound with molecular formula C13H19NO3 and molecular weight 237.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-cyano-2-(2-ethyl-2-methyloxan-4-ylidene)acetate
Also Known As: ethyl (2E)-2-cyano-2-(2-ethyl-2-methyloxan-4-ylidene)acetate, (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate, ethyl (2E)-cyano(2-ethyl-2-methyltetrahydro-4H-pyran-4-ylidene)ethanoate, ETHYL 2-CYANO-2-[(4E)-2-ETHYL-2-METHYLOXAN-4-YLIDENE]ACETATE, ethyl (2E)-2-cyano-2-(2-ethyl-2-methyl-tetrahydropyran-4-ylidene)acetate
| Molecular Formula | C13H19NO3 |
|---|---|
| Molecular Weight | 237.14 g/mol |
| LogP | 2.34878 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.13649 |
| Heavy Atoms | 17 |
| Complexity | 367.3511 |
Chemical Identifiers
| CAS Number | 68018-96-2 |
|---|---|
| SMILES | CCC1(C/C(=C(\C#N)/C(=O)OCC)/CCO1)C |
Product Overview
(E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate (CAS 68018-96-2), with molecular formula C13H19NO3 and molecular weight 237.14 g/mol. IUPAC: ethyl (2E)-2-cyano-2-(2-ethyl-2-methyloxan-4-ylidene)acetate.
Chemical Property Profile of (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate
Property Insights of (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate
The XLogP value of 2.34878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate. With a topological polar surface area (TPSA) of 59.32 Ų, (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-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 (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate?
The CAS number of (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate is 68018-96-2.
What is the molecular formula of (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate?
The molecular formula of (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate is C13H19NO3.
What is the molecular weight of (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate?
The molecular weight of (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate is 237.14 g/mol.
Where can I buy (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate?
You can request a quote for (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-cyano-2-(2-ethyl-2-methyldihydro-2H-pyran-4(3H)-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.