(2E)-3-bromo-2-methylacrylic acid
TL;DR: (2E)-3-bromo-2-methylacrylic acid (CAS 89123-63-7) is a chemical compound with molecular formula C4H5BrO2 and molecular weight 163.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-bromo-2-methylprop-2-enoic acid
Also Known As: beta-bromomethacrylic acid, alpha-bromomethacrylic acid, (2E)-3-bromo-2-methylacrylic acid, (2E)-3-bromo-2-methylprop-2-enoic acid, (E)-3-Bromo-2-methylacrylic acid
| Molecular Formula | C4H5BrO2 |
|---|---|
| Molecular Weight | 163.95 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.9473 |
| Heavy Atoms | 7 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 89123-63-7 |
|---|---|
| SMILES | C/C(=C\Br)/C(=O)O |
| InChIKey | PWWIAWDCLANFSS-NSCUHMNNSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2E)-3-bromo-2-methylacrylic acid (CAS 89123-63-7), with molecular formula C4H5BrO2 and molecular weight 163.95 g/mol. IUPAC: (E)-3-bromo-2-methylprop-2-enoic acid.
Chemical Property Profile of (2E)-3-bromo-2-methylacrylic acid
Property Insights of (2E)-3-bromo-2-methylacrylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-bromo-2-methylacrylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (2E)-3-bromo-2-methylacrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-bromo-2-methylacrylic acid has 1 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 (2E)-3-bromo-2-methylacrylic acid?
The CAS number of (2E)-3-bromo-2-methylacrylic acid is 89123-63-7.
What is the molecular formula of (2E)-3-bromo-2-methylacrylic acid?
The molecular formula of (2E)-3-bromo-2-methylacrylic acid is C4H5BrO2.
What is the molecular weight of (2E)-3-bromo-2-methylacrylic acid?
The molecular weight of (2E)-3-bromo-2-methylacrylic acid is 163.95 g/mol.
Where can I buy (2E)-3-bromo-2-methylacrylic acid?
You can request a quote for (2E)-3-bromo-2-methylacrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-bromo-2-methylacrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-bromo-2-methylacrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.