methyl (2E)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate
TL;DR: methyl (2E)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate (CAS 151692-38-5) is a chemical compound with molecular formula C9H6N2O4S and molecular weight 238.00482 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (E)-2-cyano-3-(5-nitrothiophen-2-yl)prop-2-enoate
Also Known As: BAS 00632206, methyl 2-cyano-3-(5-nitro-2-thienyl)acrylate, methyl 2-cyano-3-{5-nitro-2-thienyl}acrylate, methyl 2-cyano-3-(5-nitrothiophen-2-yl)prop-2-enoate, methyl (2E)-2-cyano-3-(5-nitro(2-thienyl))prop-2-enoate
Technical Specifications
| Molecular Formula | C9H6N2O4S |
| Molecular Weight | 238.00482 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.00482 Da |
| Heavy Atoms | 16 |
| Complexity | 379.0 |
| SMILES | COC(=O)/C(=C/C1=CC=C(S1)[N+](=O)[O-])/C#N |
| InChIKey | ALYLIEMYAOKHTD-GQCTYLIASA-N |
Chemical Property Profile of methyl (2E)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate
Property Insights of methyl (2E)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2E)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2E)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate. Following Lipinski's Rule of Five, methyl (2E)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate has 0 hydrogen bond donor(s) and 6 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)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate?
The CAS number of methyl (2E)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate is 151692-38-5.
What is the molecular formula of methyl (2E)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate?
The molecular formula of methyl (2E)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate is C9H6N2O4S.
What is the molecular weight of methyl (2E)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate?
The molecular weight of methyl (2E)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate is 238.00482 g/mol.
Where can I buy methyl (2E)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate?
You can request a quote for methyl (2E)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl (2E)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate?
Yes, CoreyChem provides custom synthesis services for methyl (2E)-2-cyano-3-(5-nitro-2-thienyl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.