(2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate
TL;DR: (2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate (CAS 126296-30-8) is a chemical compound with molecular formula C13H11F4IO2 and molecular weight 401.974 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,3,5,6-tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate
Also Known As: (2,3,5,6-tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate
Technical Specifications
| Molecular Formula | C13H11F4IO2 |
| Molecular Weight | 401.974 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.974 Da |
| Heavy Atoms | 20 |
| Complexity | 361.0 |
| SMILES | CC(C)(CC(=O)OC1=C(C(=CC(=C1F)F)F)F)C=CI |
| InChIKey | DTBLTGULTCNTLR-UHFFFAOYSA-N |
Chemical Property Profile of (2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate
Property Insights of (2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate
The XLogP value of 4.5 indicates that (2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate 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 (2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate?
The CAS number of (2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate is 126296-30-8.
What is the molecular formula of (2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate?
The molecular formula of (2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate is C13H11F4IO2.
What is the molecular weight of (2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate?
The molecular weight of (2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate is 401.974 g/mol.
Where can I buy (2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate?
You can request a quote for (2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate?
Yes, CoreyChem provides custom synthesis services for (2,3,5,6-Tetrafluorophenyl) 5-iodo-3,3-dimethylpent-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.