3-(2-Bromo-4-methylphenyl)-2-propenoic acid
TL;DR: 3-(2-Bromo-4-methylphenyl)-2-propenoic acid (CAS 66192-29-8) 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.
3-(2-bromo-4-methylphenyl)prop-2-enoic acid
Also Known As: 2-Brom-4-methyl-zimtsaeure, 3-(2-bromo-4-methylphenyl)-2-propenoic acid, 3-(2-bromo-4-methylphenyl)prop-2-enoic acid, (2E)-3-(2-bromo-4-methylphenyl)acrylic acid, 3-(2-bromo-4-methyl-phenyl)prop-2-enoic 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 | 66192-29-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C=CC(=O)O)Br |
Product Overview
3-(2-Bromo-4-methylphenyl)-2-propenoic acid (CAS 66192-29-8), with molecular formula C10H9BrO2 and molecular weight 239.98 g/mol. IUPAC: 3-(2-bromo-4-methylphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(2-Bromo-4-methylphenyl)-2-propenoic acid
Property Insights of 3-(2-Bromo-4-methylphenyl)-2-propenoic acid
The XLogP value of 2.85532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Bromo-4-methylphenyl)-2-propenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(2-Bromo-4-methylphenyl)-2-propenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Bromo-4-methylphenyl)-2-propenoic 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 3-(2-Bromo-4-methylphenyl)-2-propenoic acid?
The CAS number of 3-(2-Bromo-4-methylphenyl)-2-propenoic acid is 66192-29-8.
What is the molecular formula of 3-(2-Bromo-4-methylphenyl)-2-propenoic acid?
The molecular formula of 3-(2-Bromo-4-methylphenyl)-2-propenoic acid is C10H9BrO2.
What is the molecular weight of 3-(2-Bromo-4-methylphenyl)-2-propenoic acid?
The molecular weight of 3-(2-Bromo-4-methylphenyl)-2-propenoic acid is 239.98 g/mol.
Where can I buy 3-(2-Bromo-4-methylphenyl)-2-propenoic acid?
You can request a quote for 3-(2-Bromo-4-methylphenyl)-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Bromo-4-methylphenyl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Bromo-4-methylphenyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.