(2E)-3-(2-bromo-4-methylphenyl)acrylic acid
TL;DR: (2E)-3-(2-bromo-4-methylphenyl)acrylic acid (CAS 829-58-3) is a chemical compound with molecular formula C10H9BrO2 and molecular weight 239.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-bromo-4-methylphenyl)prop-2-enoic acid
Also Known As: (2E)-3-(2-bromo-4-methylphenyl)acrylic acid, 2-Bromo-4-methylcinnamic acid, (E)-3-(2-BROMO-4-METHYLPHENYL)ACRYLIC ACID, trans-2-Brom-4-methylzimtsaeure, 3-(2-bromo-4-methylphenyl)-2-propenoic acid
| Molecular Formula | C10H9BrO2 |
|---|---|
| Molecular Weight | 239.98 g/mol |
| LogP | 2.85532 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.97859 |
| Heavy Atoms | 13 |
| Complexity | 355.9424 |
Chemical Identifiers
| CAS Number | 829-58-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)/C=C/C(=O)O)Br |
Product Overview
(2E)-3-(2-bromo-4-methylphenyl)acrylic acid (CAS 829-58-3), with molecular formula C10H9BrO2 and molecular weight 239.98 g/mol. IUPAC: (E)-3-(2-bromo-4-methylphenyl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(2-bromo-4-methylphenyl)acrylic acid
Property Insights of (2E)-3-(2-bromo-4-methylphenyl)acrylic acid
The XLogP value of 2.85532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(2-bromo-4-methylphenyl)acrylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (2E)-3-(2-bromo-4-methylphenyl)acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(2-bromo-4-methylphenyl)acrylic acid has 1 hydrogen bond donor(s) and 1 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-(2-bromo-4-methylphenyl)acrylic acid?
The CAS number of (2E)-3-(2-bromo-4-methylphenyl)acrylic acid is 829-58-3.
What is the molecular formula of (2E)-3-(2-bromo-4-methylphenyl)acrylic acid?
The molecular formula of (2E)-3-(2-bromo-4-methylphenyl)acrylic acid is C10H9BrO2.
What is the molecular weight of (2E)-3-(2-bromo-4-methylphenyl)acrylic acid?
The molecular weight of (2E)-3-(2-bromo-4-methylphenyl)acrylic acid is 239.98 g/mol.
Where can I buy (2E)-3-(2-bromo-4-methylphenyl)acrylic acid?
You can request a quote for (2E)-3-(2-bromo-4-methylphenyl)acrylic 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-(2-bromo-4-methylphenyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(2-bromo-4-methylphenyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.