(E)-3-Bromoacrylic acid
TL;DR: (E)-3-Bromoacrylic acid (CAS 1609-92-3) is a chemical compound with molecular formula C3H3BrO2 and molecular weight 149.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-bromoprop-2-enoic acid
Also Known As: (E)-3-Bromoacrylic Acid, b-bromoacrylic acid, 3-bromo-2E-acrylic acid, 3-Bromopropenoic acid, (E)-3-bromoprop-2-enoic acid
| Molecular Formula | C3H3BrO2 |
|---|---|
| Molecular Weight | 149.93 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.93164 |
| Heavy Atoms | 6 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 1609-92-3 |
|---|---|
| SMILES | C(=C/Br)\C(=O)O |
| InChIKey | POAWTYXNXPEWCO-OWOJBTEDSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-3-Bromoacrylic acid (CAS 1609-92-3), with molecular formula C3H3BrO2 and molecular weight 149.93 g/mol. IUPAC: (E)-3-bromoprop-2-enoic acid.
Chemical Property Profile of (E)-3-Bromoacrylic acid
Property Insights of (E)-3-Bromoacrylic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-Bromoacrylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (E)-3-Bromoacrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-Bromoacrylic 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 (E)-3-Bromoacrylic acid?
The CAS number of (E)-3-Bromoacrylic acid is 1609-92-3.
What is the molecular formula of (E)-3-Bromoacrylic acid?
The molecular formula of (E)-3-Bromoacrylic acid is C3H3BrO2.
What is the molecular weight of (E)-3-Bromoacrylic acid?
The molecular weight of (E)-3-Bromoacrylic acid is 149.93 g/mol.
Where can I buy (E)-3-Bromoacrylic acid?
You can request a quote for (E)-3-Bromoacrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-Bromoacrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-Bromoacrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.