Methyl Bromodifluoroacetate
TL;DR: Methyl Bromodifluoroacetate (CAS 5553-32-2) is a chemical compound with molecular formula C3H3BrF2O2 and molecular weight 187.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-2,2-difluoroacetate
Also Known As: Methyl Bromodifluoroacetate, methyl 2-bromo-2,2-difluoroacetate, methyl bromo(difluoro)acetate, methyl-bromodifluoroacetate, Methyl bromodi(fluoro)acetate
| Molecular Formula | C3H3BrF2O2 |
|---|---|
| Molecular Weight | 187.93 g/mol |
| LogP | 1.1471 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.92845 |
| Heavy Atoms | 8 |
| Complexity | 97.94677 |
Chemical Identifiers
| CAS Number | 5553-32-2 |
|---|---|
| SMILES | COC(=O)C(F)(F)Br |
Product Overview
Methyl Bromodifluoroacetate (CAS 5553-32-2), with molecular formula C3H3BrF2O2 and molecular weight 187.93 g/mol. IUPAC: methyl 2-bromo-2,2-difluoroacetate.
Chemical Property Profile of Methyl Bromodifluoroacetate
Property Insights of Methyl Bromodifluoroacetate
The XLogP value of 1.1471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl Bromodifluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl Bromodifluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl Bromodifluoroacetate 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 Bromodifluoroacetate?
The CAS number of Methyl Bromodifluoroacetate is 5553-32-2.
What is the molecular formula of Methyl Bromodifluoroacetate?
The molecular formula of Methyl Bromodifluoroacetate is C3H3BrF2O2.
What is the molecular weight of Methyl Bromodifluoroacetate?
The molecular weight of Methyl Bromodifluoroacetate is 187.93 g/mol.
Where can I buy Methyl Bromodifluoroacetate?
You can request a quote for Methyl Bromodifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl Bromodifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl Bromodifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.