Methyl dibromoacetate
TL;DR: Methyl dibromoacetate (CAS 6482-26-4) is a chemical compound with molecular formula C3H4Br2O2 and molecular weight 229.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-dibromoacetate
Also Known As: methyl 2,2-dibromoacetate, Methyl dibromoacetate, Acetic acid, dibromo-, methyl ester, METHYL DIBROMOACETATE, 50MG, NEAT, Dibromoacetic acid methyl ester
| Molecular Formula | C3H4Br2O2 |
|---|---|
| Molecular Weight | 229.86 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.8578 |
| Heavy Atoms | 7 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 6482-26-4 |
|---|---|
| SMILES | COC(=O)C(Br)Br |
| InChIKey | DZFMIUJZSYIMPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl dibromoacetate (CAS 6482-26-4), with molecular formula C3H4Br2O2 and molecular weight 229.86 g/mol. IUPAC: methyl 2,2-dibromoacetate.
Chemical Property Profile of Methyl dibromoacetate
Property Insights of Methyl dibromoacetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl dibromoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl dibromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl dibromoacetate 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 dibromoacetate?
The CAS number of Methyl dibromoacetate is 6482-26-4.
What is the molecular formula of Methyl dibromoacetate?
The molecular formula of Methyl dibromoacetate is C3H4Br2O2.
What is the molecular weight of Methyl dibromoacetate?
The molecular weight of Methyl dibromoacetate is 229.86 g/mol.
Where can I buy Methyl dibromoacetate?
You can request a quote for Methyl dibromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl dibromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl dibromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.