Methyl 4H-perfluorobutanoate
TL;DR: Methyl 4H-perfluorobutanoate (CAS 356-32-1) is a chemical compound with molecular formula C5H4F6O2 and molecular weight 210.01 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-hexafluorobutanoate
Also Known As: methyl 2,2,3,3,4,4-hexafluorobutanoate, Methyl 4H-perfluorobutanoate, Methyl 4H-hexafluorobutanoate, Methyl 2,2,3,3,4,4-hexafluorobutyrate, METHYL2,2,3,3,4,4-HEXAFLUOROBUTANOATE
| Molecular Formula | C5H4F6O2 |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 1.6951 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.01155 |
| Heavy Atoms | 13 |
| Complexity | 201.2013 |
Chemical Identifiers
| CAS Number | 356-32-1 |
|---|---|
| SMILES | COC(=O)C(C(C(F)F)(F)F)(F)F |
Product Overview
Methyl 4H-perfluorobutanoate (CAS 356-32-1), with molecular formula C5H4F6O2 and molecular weight 210.01 g/mol. IUPAC: methyl 2,2,3,3,4,4-hexafluorobutanoate.
Chemical Property Profile of Methyl 4H-perfluorobutanoate
Property Insights of Methyl 4H-perfluorobutanoate
The XLogP value of 1.6951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4H-perfluorobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4H-perfluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4H-perfluorobutanoate 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
Frequently Asked Questions
What is the CAS number of Methyl 4H-perfluorobutanoate?
The CAS number of Methyl 4H-perfluorobutanoate is 356-32-1.
What is the molecular formula of Methyl 4H-perfluorobutanoate?
The molecular formula of Methyl 4H-perfluorobutanoate is C5H4F6O2.
What is the molecular weight of Methyl 4H-perfluorobutanoate?
The molecular weight of Methyl 4H-perfluorobutanoate is 210.01 g/mol.
Where can I buy Methyl 4H-perfluorobutanoate?
You can request a quote for Methyl 4H-perfluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4H-perfluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4H-perfluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.