2-Pentenoic acid, 4-methyl-, ethyl ester
TL;DR: 2-Pentenoic acid, 4-methyl-, ethyl ester (CAS 15790-86-0) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-methylpent-2-enoate
Also Known As: ethyl 4-methylpent-2-enoate, Pregabalin Impurity 173, Ethyl 4-Methyl-2-Pentenoate, (E)-ethyl 4-methylpent-2-enoate, ethyl (E)-4-methylpent-2-enoate
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.09938 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.09938 Da |
| Heavy Atoms | 10 |
| Complexity | 125.0 |
| SMILES | CCOC(=O)C=CC(C)C |
| InChIKey | GNDHNYOKGXAMOS-UHFFFAOYSA-N |
Chemical Property Profile of 2-Pentenoic acid, 4-methyl-, ethyl ester
Property Insights of 2-Pentenoic acid, 4-methyl-, ethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentenoic acid, 4-methyl-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Pentenoic acid, 4-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentenoic acid, 4-methyl-, ethyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Pentenoic acid, 4-methyl-, ethyl ester?
The CAS number of 2-Pentenoic acid, 4-methyl-, ethyl ester is 15790-86-0.
What is the molecular formula of 2-Pentenoic acid, 4-methyl-, ethyl ester?
The molecular formula of 2-Pentenoic acid, 4-methyl-, ethyl ester is C8H14O2.
What is the molecular weight of 2-Pentenoic acid, 4-methyl-, ethyl ester?
The molecular weight of 2-Pentenoic acid, 4-methyl-, ethyl ester is 142.09938 g/mol.
Where can I buy 2-Pentenoic acid, 4-methyl-, ethyl ester?
You can request a quote for 2-Pentenoic acid, 4-methyl-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Pentenoic acid, 4-methyl-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Pentenoic acid, 4-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.