Methyl bromochloroacetate
TL;DR: Methyl bromochloroacetate (CAS 20428-74-4) is a chemical compound with molecular formula C3H4BrClO2 and molecular weight 185.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-2-chloroacetate
Also Known As: methyl 2-bromo-2-chloroacetate, METHYL BROMOCHLOROACETATE, Phenylborondichloride, Methyl bromo(chloro)acetate, METHYLBROMOCHLOROACETATE
| Molecular Formula | C3H4BrClO2 |
|---|---|
| Molecular Weight | 185.91 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.90833 |
| Heavy Atoms | 7 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 20428-74-4 |
|---|---|
| SMILES | COC(=O)C(Cl)Br |
| InChIKey | WIBYPHGWXYLWQX-UHFFFAOYSA-N |
Product Overview
Methyl bromochloroacetate (CAS 20428-74-4), with molecular formula C3H4BrClO2 and molecular weight 185.91 g/mol. IUPAC: methyl 2-bromo-2-chloroacetate.
Chemical Property Profile of Methyl bromochloroacetate
Property Insights of Methyl bromochloroacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl bromochloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl bromochloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl bromochloroacetate 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 bromochloroacetate?
The CAS number of Methyl bromochloroacetate is 20428-74-4.
What is the molecular formula of Methyl bromochloroacetate?
The molecular formula of Methyl bromochloroacetate is C3H4BrClO2.
What is the molecular weight of Methyl bromochloroacetate?
The molecular weight of Methyl bromochloroacetate is 185.91 g/mol.
Where can I buy Methyl bromochloroacetate?
You can request a quote for Methyl bromochloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl bromochloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl bromochloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.