Methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate
TL;DR: Methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate (CAS 106203-17-2) is a chemical compound with molecular formula C7H6F7NO2 and molecular weight 269.0287 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate
Also Known As: methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate, Methyl 3-amino-4,4,5,5,6,6,6-heptafluoro-2-hexenoate
Technical Specifications
| Molecular Formula | C7H6F7NO2 |
| Molecular Weight | 269.0287 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.0287 Da |
| Heavy Atoms | 17 |
| Complexity | 334.0 |
| SMILES | COC(=O)C=C(C(C(C(F)(F)F)(F)F)(F)F)N |
| InChIKey | ADUVQDXZSJUGJY-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate
Property Insights of Methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate has 1 hydrogen bond donor(s) and 10 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 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate?
The CAS number of Methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate is 106203-17-2.
What is the molecular formula of Methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate?
The molecular formula of Methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate is C7H6F7NO2.
What is the molecular weight of Methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate?
The molecular weight of Methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate is 269.0287 g/mol.
Where can I buy Methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate?
You can request a quote for Methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-amino-4,4,5,5,6,6,6-heptafluorohex-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.