Methyl dibromochloroacetate
TL;DR: Methyl dibromochloroacetate (CAS 20428-75-5) is a chemical compound with molecular formula C3H3Br2ClO2 and molecular weight 263.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-dibromo-2-chloroacetate
Also Known As: Methyl dibromochloroacetate, methyl 2,2-dibromo-2-chloroacetate, Methylchlorodibromoacetate, Methyl dibromo(chloro)acetate, METHYL CHLORODIBROMOACETATE
| Molecular Formula | C3H3Br2ClO2 |
|---|---|
| Molecular Weight | 263.82 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.81882 |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 20428-75-5 |
|---|---|
| SMILES | COC(=O)C(Cl)(Br)Br |
| InChIKey | QZQHSPJXRPFOLR-UHFFFAOYSA-N |
Product Overview
Methyl dibromochloroacetate (CAS 20428-75-5), with molecular formula C3H3Br2ClO2 and molecular weight 263.82 g/mol. IUPAC: methyl 2,2-dibromo-2-chloroacetate.
Chemical Property Profile of Methyl dibromochloroacetate
Property Insights of Methyl dibromochloroacetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl dibromochloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl dibromochloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl dibromochloroacetate 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 dibromochloroacetate?
The CAS number of Methyl dibromochloroacetate is 20428-75-5.
What is the molecular formula of Methyl dibromochloroacetate?
The molecular formula of Methyl dibromochloroacetate is C3H3Br2ClO2.
What is the molecular weight of Methyl dibromochloroacetate?
The molecular weight of Methyl dibromochloroacetate is 263.82 g/mol.
Where can I buy Methyl dibromochloroacetate?
You can request a quote for Methyl dibromochloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl dibromochloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl dibromochloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.