![ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate structure](/static/products/228/228415-47-2.png)
ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate
TL;DR: ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate (CAS 228415-47-2) is a chemical compound with molecular formula C12H14N4O2 and molecular weight 246.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate
Also Known As: ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate, ETHYL 3-((4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO)-2-CYANOPROP-2-ENOATE
| Molecular Formula | C12H14N4O2 |
|---|---|
| Molecular Weight | 246.11 g/mol |
| LogP | 1.47592 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.11168 |
| Heavy Atoms | 18 |
| Complexity | 497.04895 |
Chemical Identifiers
| CAS Number | 228415-47-2 |
|---|---|
| SMILES | CCOC(=O)/C(=C/NC1=NC(=CC(=N1)C)C)/C#N |
Product Overview
ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate (CAS 228415-47-2), with molecular formula C12H14N4O2 and molecular weight 246.11 g/mol. IUPAC: ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate.
Chemical Property Profile of ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate
Property Insights of ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate
The XLogP value of 1.47592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate. Following Lipinski's Rule of Five, ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate has 1 hydrogen bond donor(s) and 6 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 (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate?
The CAS number of ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate is 228415-47-2.
What is the molecular formula of ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate?
The molecular formula of ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate is C12H14N4O2.
What is the molecular weight of ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate?
The molecular weight of ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate is 246.11 g/mol.
Where can I buy ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate?
You can request a quote for ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (E)-2-cyano-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.