Methyl 3-Bromopyruvate
TL;DR: Methyl 3-Bromopyruvate (CAS 7425-63-0) is a chemical compound with molecular formula C4H5BrO3 and molecular weight 179.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-bromo-2-oxopropanoate
Also Known As: Methyl bromopyruvate, methyl 3-bromo-2-oxopropanoate, Methyl 3-bromopyruvate, MethylBromopyruvate, BrCH2COCO2Me
| Molecular Formula | C4H5BrO3 |
|---|---|
| Molecular Weight | 179.94 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.94221 |
| Heavy Atoms | 8 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 7425-63-0 |
|---|---|
| SMILES | COC(=O)C(=O)CBr |
| InChIKey | MQONVZMIFQQQHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-Bromopyruvate (CAS 7425-63-0), with molecular formula C4H5BrO3 and molecular weight 179.94 g/mol. IUPAC: methyl 3-bromo-2-oxopropanoate.
Chemical Property Profile of Methyl 3-Bromopyruvate
Property Insights of Methyl 3-Bromopyruvate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-Bromopyruvate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 3-Bromopyruvate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-Bromopyruvate has 0 hydrogen bond donor(s) and 3 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 3-Bromopyruvate?
The CAS number of Methyl 3-Bromopyruvate is 7425-63-0.
What is the molecular formula of Methyl 3-Bromopyruvate?
The molecular formula of Methyl 3-Bromopyruvate is C4H5BrO3.
What is the molecular weight of Methyl 3-Bromopyruvate?
The molecular weight of Methyl 3-Bromopyruvate is 179.94 g/mol.
Where can I buy Methyl 3-Bromopyruvate?
You can request a quote for Methyl 3-Bromopyruvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-Bromopyruvate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-Bromopyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.