Methyl perfluorobuten-3-oate
TL;DR: Methyl perfluorobuten-3-oate (CAS 20562-79-2) is a chemical compound with molecular formula C5H3F5O2 and molecular weight 190.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2,3,4,4-pentafluorobut-3-enoate
Also Known As: Methyl perfluorobuten-3-oate, 3-Methylstyrene, Methyl pentafluorobut-3-enoate, methyl 2,2,3,4,4-pentafluorobut-3-enoate, METHYLPENTAFLUOROBUT-3-ENOATE
| Molecular Formula | C5H3F5O2 |
|---|---|
| Molecular Weight | 190.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.00533 |
| Heavy Atoms | 12 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 20562-79-2 |
|---|---|
| SMILES | COC(=O)C(C(=C(F)F)F)(F)F |
| InChIKey | AZKKPFXZCSUOGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl perfluorobuten-3-oate (CAS 20562-79-2), with molecular formula C5H3F5O2 and molecular weight 190.01 g/mol. IUPAC: methyl 2,2,3,4,4-pentafluorobut-3-enoate.
Chemical Property Profile of Methyl perfluorobuten-3-oate
Property Insights of Methyl perfluorobuten-3-oate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl perfluorobuten-3-oate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl perfluorobuten-3-oate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl perfluorobuten-3-oate has 0 hydrogen bond donor(s) and 7 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 perfluorobuten-3-oate?
The CAS number of Methyl perfluorobuten-3-oate is 20562-79-2.
What is the molecular formula of Methyl perfluorobuten-3-oate?
The molecular formula of Methyl perfluorobuten-3-oate is C5H3F5O2.
What is the molecular weight of Methyl perfluorobuten-3-oate?
The molecular weight of Methyl perfluorobuten-3-oate is 190.01 g/mol.
Where can I buy Methyl perfluorobuten-3-oate?
You can request a quote for Methyl perfluorobuten-3-oate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl perfluorobuten-3-oate?
Yes, KEHONG BIO provides custom synthesis services for Methyl perfluorobuten-3-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.