ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate
TL;DR: ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate (CAS 5581-92-0) is a chemical compound with molecular formula C21H17N3O2 and molecular weight 343.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate
Also Known As: BIM-0025442.P001, ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate, ethyl cyano(2,6-diphenyl-4(3H)-pyrimidinylidene)acetate, Ethyl (2Z)-cyano(2,6-diphenylpyrimidin-4(3H)-ylidene)acetate
| Molecular Formula | C21H17N3O2 |
|---|---|
| Molecular Weight | 343.13 g/mol |
| LogP | 3.41828 |
| Topological Polar Surface Area | 74.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.13208 |
| Heavy Atoms | 26 |
| Complexity | 936.22644 |
Chemical Identifiers
| CAS Number | 5581-92-0 |
|---|---|
| SMILES | CCOC(=O)/C(=C\1/C=C(N=C(N1)C2=CC=CC=C2)C3=CC=CC=C3)/C#N |
Product Overview
ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate (CAS 5581-92-0), with molecular formula C21H17N3O2 and molecular weight 343.13 g/mol. IUPAC: ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate.
Chemical Property Profile of ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate
Property Insights of ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate
The XLogP value of 3.41828 indicates that ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate. Following Lipinski's Rule of Five, ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate has 1 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 (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate?
The CAS number of ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate is 5581-92-0.
What is the molecular formula of ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate?
The molecular formula of ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate is C21H17N3O2.
What is the molecular weight of ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate?
The molecular weight of ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate is 343.13 g/mol.
Where can I buy ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate?
You can request a quote for ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-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 (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-2-cyano-2-(2,4-diphenyl-1H-pyrimidin-6-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.