Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate
TL;DR: Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate (CAS 378-67-6) is a chemical compound with molecular formula C4H3BrF4O2 and molecular weight 237.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-2,3,3,3-tetrafluoropropanoate
Also Known As: Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate, Methyl 2-bromotetrafluoropropionate, Methyl 2-bromo-2,3,3,3-tetrafluoropropionate, methyl 2-bromo-2,3,3,3-tetrafluoro-propanoate, 2-bromo-2,3,3,3-tetrafluoropropanoic acid methyl ester
| Molecular Formula | C4H3BrF4O2 |
|---|---|
| Molecular Weight | 237.93 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.92525 |
| Heavy Atoms | 11 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 378-67-6 |
|---|---|
| SMILES | COC(=O)C(C(F)(F)F)(F)Br |
| InChIKey | NJEAPFHUCXWTAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate (CAS 378-67-6), with molecular formula C4H3BrF4O2 and molecular weight 237.93 g/mol. IUPAC: methyl 2-bromo-2,3,3,3-tetrafluoropropanoate.
Chemical Property Profile of Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate
Property Insights of Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate 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
Frequently Asked Questions
What is the CAS number of Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate?
The CAS number of Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate is 378-67-6.
What is the molecular formula of Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate?
The molecular formula of Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate is C4H3BrF4O2.
What is the molecular weight of Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate?
The molecular weight of Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate is 237.93 g/mol.
Where can I buy Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate?
You can request a quote for Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-bromo-2,3,3,3-tetrafluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.