ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate
TL;DR: ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate (CAS 120341-02-8) is a chemical compound with molecular formula C15H13N3O2 and molecular weight 267.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate
Also Known As: ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate, AH-262/34229018, ethyl cyano(1-phenyl-4(1H)-pyrimidinylidene)acetate, (Z)-ethyl 2-cyano-2-(1-phenylpyrimidin-4(1H)-ylidene)acetate
| Molecular Formula | C15H13N3O2 |
|---|---|
| Molecular Weight | 267.10 g/mol |
| LogP | 2.38938 |
| Topological Polar Surface Area | 65.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.10077 |
| Heavy Atoms | 20 |
| Complexity | 608.26874 |
Chemical Identifiers
| CAS Number | 120341-02-8 |
|---|---|
| SMILES | CCOC(=O)/C(=C\1/C=CN(C=N1)C2=CC=CC=C2)/C#N |
Product Overview
ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate (CAS 120341-02-8), with molecular formula C15H13N3O2 and molecular weight 267.10 g/mol. IUPAC: ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate.
Chemical Property Profile of ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate
Property Insights of ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate
The XLogP value of 2.38938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate. The TPSA of 65.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate. Following Lipinski's Rule of Five, ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-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 (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate?
The CAS number of ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate is 120341-02-8.
What is the molecular formula of ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate?
The molecular formula of ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate is C15H13N3O2.
What is the molecular weight of ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate?
The molecular weight of ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate is 267.10 g/mol.
Where can I buy ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate?
You can request a quote for ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-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 (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-2-cyano-2-(1-phenylpyrimidin-4-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.