Methyl (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-2-enoate
TL;DR: Methyl (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-2-enoate (CAS 155014-41-8) is a chemical compound with molecular formula C13H9NO3 and molecular weight 227.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (E)-3-(1-benzofuran-2-yl)-2-cyanoprop-2-enoate
Also Known As: Methyl 3-benzofuran-2-yl-2-cyano-prop-2-enoate, METHYL (2E)-3-(1-BENZOFURAN-2-YL)-2-CYANOPROP-2-ENOATE, methyl (E)-3-(1-benzofuran-2-yl)-2-cyanoprop-2-enoate
Technical Specifications
| Molecular Formula | C13H9NO3 |
| Molecular Weight | 227.05824 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.05824 Da |
| Heavy Atoms | 17 |
| Complexity | 379.0 |
| SMILES | COC(=O)/C(=C/C1=CC2=CC=CC=C2O1)/C#N |
| InChIKey | HUTTXHHCZILHNA-JXMROGBWSA-N |
Chemical Property Profile of Methyl (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-2-enoate
Property Insights of Methyl (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-2-enoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-2-enoate. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-2-enoate. Following Lipinski's Rule of Five, Methyl (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-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 (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-2-enoate?
The CAS number of Methyl (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-2-enoate is 155014-41-8.
What is the molecular formula of Methyl (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-2-enoate?
The molecular formula of Methyl (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-2-enoate is C13H9NO3.
What is the molecular weight of Methyl (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-2-enoate?
The molecular weight of Methyl (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-2-enoate is 227.05824 g/mol.
Where can I buy Methyl (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-2-enoate?
You can request a quote for Methyl (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Methyl (2E)-3-(1-benzofuran-2-YL)-2-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.