methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate
TL;DR: methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate (CAS 102070-03-1) is a chemical compound with molecular formula C12H8N2O2 and molecular weight 212.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate
Also Known As: (E)-methyl 2-cyano-3-(4-cyanophenyl)acrylate, J2.235.125G, Methyl 2-cyano-3-(4-cyanophenyl)prop-2-enoate, methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate, (E)-2-Cyano-3-(4-cyanophenyl)propenoic acid methyl ester
Technical Specifications
| Molecular Formula | C12H8N2O2 |
| Molecular Weight | 212.05858 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.05858 Da |
| Heavy Atoms | 16 |
| Complexity | 386.0 |
| SMILES | COC(=O)/C(=C/C1=CC=C(C=C1)C#N)/C#N |
| InChIKey | LRXXOPUBQBKCTN-IZZDOVSWSA-N |
Chemical Property Profile of methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate
Property Insights of methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate. Following Lipinski's Rule of Five, methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate 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
What is the CAS number of methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate?
The CAS number of methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate is 102070-03-1.
What is the molecular formula of methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate?
The molecular formula of methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate is C12H8N2O2.
What is the molecular weight of methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate?
The molecular weight of methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate is 212.05858 g/mol.
Where can I buy methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate?
You can request a quote for methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for methyl (E)-2-cyano-3-(4-cyanophenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.