Tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate
TL;DR: Tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate (CAS 1142-11-6) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate
Also Known As: tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate, 2-Furanacrylicacid,a-cyano-,tert-butyl ester(7CI,8CI), 2-Propenoic acid,2-cyano-3-(2-furanyl)-, 1,1-dimethylethyl ester
Technical Specifications
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.08954 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.08954 Da |
| Heavy Atoms | 16 |
| Complexity | 343.0 |
| SMILES | CC(C)(C)OC(=O)C(=CC1=CC=CO1)C#N |
| InChIKey | TTZNRNNOKLDODH-UHFFFAOYSA-N |
Chemical Property Profile of Tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate
Property Insights of Tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate. Following Lipinski's Rule of Five, Tert-butyl 2-cyano-3-(furan-2-yl)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 Tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate?
The CAS number of Tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate is 1142-11-6.
What is the molecular formula of Tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate?
The molecular formula of Tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate is C12H13NO3.
What is the molecular weight of Tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate?
The molecular weight of Tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate is 219.08954 g/mol.
Where can I buy Tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate?
You can request a quote for Tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Tert-butyl 2-cyano-3-(furan-2-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.