Methyl 2,2,3,3,4,4,4-heptafluorobutanoate
TL;DR: Methyl 2,2,3,3,4,4,4-heptafluorobutanoate (CAS 356-24-1) is a chemical compound with molecular formula C5H3F7O2 and molecular weight 228.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2,3,3,4,4,4-heptafluorobutanoate
Also Known As: Methyl heptafluorobutyrate, Methyl 2,2,3,3,4,4,4-heptafluorobutanoate, Methyl perfluorobutyrate, Methyl perfluorobutanoate, Methyl heptafluorobutanoate
| Molecular Formula | C5H3F7O2 |
|---|---|
| Molecular Weight | 228.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.00212 |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 356-24-1 |
|---|---|
| SMILES | COC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | MRPUVAKBXDBGJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,2,3,3,4,4,4-heptafluorobutanoate (CAS 356-24-1), with molecular formula C5H3F7O2 and molecular weight 228.00 g/mol. IUPAC: methyl 2,2,3,3,4,4,4-heptafluorobutanoate.
Chemical Property Profile of Methyl 2,2,3,3,4,4,4-heptafluorobutanoate
Property Insights of Methyl 2,2,3,3,4,4,4-heptafluorobutanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,2,3,3,4,4,4-heptafluorobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,2,3,3,4,4,4-heptafluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,2,3,3,4,4,4-heptafluorobutanoate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The CAS number of Methyl 2,2,3,3,4,4,4-heptafluorobutanoate is 356-24-1.
What is the molecular formula of Methyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The molecular formula of Methyl 2,2,3,3,4,4,4-heptafluorobutanoate is C5H3F7O2.
What is the molecular weight of Methyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The molecular weight of Methyl 2,2,3,3,4,4,4-heptafluorobutanoate is 228.00 g/mol.
Where can I buy Methyl 2,2,3,3,4,4,4-heptafluorobutanoate?
You can request a quote for Methyl 2,2,3,3,4,4,4-heptafluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2,3,3,4,4,4-heptafluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2,3,3,4,4,4-heptafluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.