Methyl bromodichloroacetate
TL;DR: Methyl bromodichloroacetate (CAS 20428-76-6) is a chemical compound with molecular formula C3H3BrCl2O2 and molecular weight 219.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-2,2-dichloroacetate
Also Known As: Methyl bromodichloroacetate, methyl 2-bromo-2,2-dichloroacetate, 3-bromo-5-nitrobenzoic acid, Methyl bromodi(chloro)acetate, Dichlorbromessigsaeure-methylester
| Molecular Formula | C3H3BrCl2O2 |
|---|---|
| Molecular Weight | 219.87 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.86935 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 20428-76-6 |
|---|---|
| SMILES | COC(=O)C(Cl)(Cl)Br |
| InChIKey | VCMGKXLUCUYXBM-UHFFFAOYSA-N |
Product Overview
Methyl bromodichloroacetate (CAS 20428-76-6), with molecular formula C3H3BrCl2O2 and molecular weight 219.87 g/mol. IUPAC: methyl 2-bromo-2,2-dichloroacetate.
Chemical Property Profile of Methyl bromodichloroacetate
Property Insights of Methyl bromodichloroacetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl bromodichloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl bromodichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl bromodichloroacetate 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 bromodichloroacetate?
The CAS number of Methyl bromodichloroacetate is 20428-76-6.
What is the molecular formula of Methyl bromodichloroacetate?
The molecular formula of Methyl bromodichloroacetate is C3H3BrCl2O2.
What is the molecular weight of Methyl bromodichloroacetate?
The molecular weight of Methyl bromodichloroacetate is 219.87 g/mol.
Where can I buy Methyl bromodichloroacetate?
You can request a quote for Methyl bromodichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl bromodichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl bromodichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.