(2E)-3-(4-bromophenyl)prop-2-enoic acid
TL;DR: (2E)-3-(4-bromophenyl)prop-2-enoic acid (CAS 12045-19-1) is a chemical compound with molecular formula C9H7BrO2 and molecular weight 225.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-bromophenyl)prop-2-enoic acid
Also Known As: 4-Bromocinnamic acid, 3-(4-bromophenyl)acrylic acid, p-Bromocinnamic acid, null, (E)-3-(4-bromophenyl)acrylic acid
| Molecular Formula | C9H7BrO2 |
|---|---|
| Molecular Weight | 225.96 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.96294 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 12045-19-1 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)O)Br |
| InChIKey | CPDDDTNAMBSPRN-ZZXKWVIFSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2E)-3-(4-bromophenyl)prop-2-enoic acid (CAS 12045-19-1), with molecular formula C9H7BrO2 and molecular weight 225.96 g/mol. IUPAC: (E)-3-(4-bromophenyl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(4-bromophenyl)prop-2-enoic acid
Property Insights of (2E)-3-(4-bromophenyl)prop-2-enoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(4-bromophenyl)prop-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (2E)-3-(4-bromophenyl)prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(4-bromophenyl)prop-2-enoic 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-(4-bromophenyl)prop-2-enoic acid?
The CAS number of (2E)-3-(4-bromophenyl)prop-2-enoic acid is 12045-19-1.
What is the molecular formula of (2E)-3-(4-bromophenyl)prop-2-enoic acid?
The molecular formula of (2E)-3-(4-bromophenyl)prop-2-enoic acid is C9H7BrO2.
What is the molecular weight of (2E)-3-(4-bromophenyl)prop-2-enoic acid?
The molecular weight of (2E)-3-(4-bromophenyl)prop-2-enoic acid is 225.96 g/mol.
Where can I buy (2E)-3-(4-bromophenyl)prop-2-enoic acid?
You can request a quote for (2E)-3-(4-bromophenyl)prop-2-enoic 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-(4-bromophenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(4-bromophenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.