Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate
TL;DR: Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate (CAS 14479-59-5) is a chemical compound with molecular formula C11H8N2O4 and molecular weight 232.0484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (E)-2-cyano-3-(4-nitrophenyl)prop-2-enoate
Also Known As: methyl 2-cyano-3-(4-nitrophenyl)acrylate, Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate, alpha-Cyano-4-nitrocinnamic acid methyl ester, J1.210.629G, Methyl (E)-2-cyano-3-(4-nitrophenyl)acrylate
Technical Specifications
| Molecular Formula | C11H8N2O4 |
| Molecular Weight | 232.0484 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.0484 Da |
| Heavy Atoms | 17 |
| Complexity | 380.0 |
| SMILES | COC(=O)/C(=C/C1=CC=C(C=C1)[N+](=O)[O-])/C#N |
| InChIKey | ASMATNCOGPXLKV-RMKNXTFCSA-N |
Chemical Property Profile of Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate
Property Insights of Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate. Following Lipinski's Rule of Five, Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate 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
What is the CAS number of Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate?
The CAS number of Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate is 14479-59-5.
What is the molecular formula of Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate?
The molecular formula of Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate is C11H8N2O4.
What is the molecular weight of Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate?
The molecular weight of Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate is 232.0484 g/mol.
Where can I buy Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate?
You can request a quote for Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-cyano-3-(4-nitrophenyl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.