Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate
TL;DR: Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate (CAS 28711-04-8) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate
Also Known As: Butyl 2-cyano-3-(4-methoxyphenyl)-2-butenoate, butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate, a-cyano-beta-methyl-4-methoxy cinnamic acid butyl ester, 2-Butenoic acid,2-cyano-3-(4-methoxyphenyl)-, butyl ester
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H19NO3 |
| Molecular Weight | 273.1365 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 273.1365 Da |
| Heavy Atoms | 20 |
| Complexity | 397.0 |
| SMILES | CCCCOC(=O)C(=C(C)C1=CC=C(C=C1)OC)C#N |
| InChIKey | NKBHDHWFTJYJSK-UHFFFAOYSA-N |
Chemical Property Profile of Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate
Property Insights of Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate
The XLogP value of 4.0 indicates that Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-cyano-3-(4-methoxyphenyl)but-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 Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate?
The CAS number of Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate is 28711-04-8.
What is the molecular formula of Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate?
The molecular formula of Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate is C16H19NO3.
What is the molecular weight of Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate?
The molecular weight of Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate is 273.1365 g/mol.
Where can I buy Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate?
You can request a quote for Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate?
Yes, CoreyChem provides custom synthesis services for Butyl 2-cyano-3-(4-methoxyphenyl)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.