![ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate structure](/static/products/952/95234-40-5.png)
ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate
TL;DR: ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate (CAS 95234-40-5) is a chemical compound with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-(1-methylpyrimidin-4-ylidene)acetate
Also Known As: ChemDiv3_004380, ethyl 2-cyano-2-(1-methylpyrimidin-4-ylidene)acetate, ethyl 2-cyano-2-[1-methyl-4(1H)-pyrimidinyliden]acetate, ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate
| Molecular Formula | C10H11N3O2 |
|---|---|
| Molecular Weight | 205.09 g/mol |
| LogP | 0.81458 |
| Topological Polar Surface Area | 65.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.08513 |
| Heavy Atoms | 15 |
| Complexity | 371.9619 |
Chemical Identifiers
| CAS Number | 95234-40-5 |
|---|---|
| SMILES | CCOC(=O)C(=C1C=CN(C=N1)C)C#N |
Product Overview
ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate (CAS 95234-40-5), with molecular formula C10H11N3O2 and molecular weight 205.09 g/mol. IUPAC: ethyl 2-cyano-2-(1-methylpyrimidin-4-ylidene)acetate.
Chemical Property Profile of ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate
Property Insights of ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate
The XLogP value of 0.81458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate. The TPSA of 65.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate. Following Lipinski's Rule of Five, ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate has 0 hydrogen bond donor(s) and 5 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-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate?
The CAS number of ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate is 95234-40-5.
What is the molecular formula of ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate?
The molecular formula of ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate is C10H11N3O2.
What is the molecular weight of ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate?
The molecular weight of ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate is 205.09 g/mol.
Where can I buy ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate?
You can request a quote for ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-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-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-cyano-2-[(4E)-1-methyl-1,4-dihydropyrimidin-4-ylidene]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.