3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid
TL;DR: 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid (CAS 1035235-03-0) is a chemical compound with molecular formula C10H9BrO3 and molecular weight 255.97351 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-bromo-4-methoxyphenyl)prop-2-enoic acid
Also Known As: 3-BROMO-4-METHOXYCINNAMIC ACID, 3-(3-bromo-4-methoxy-phenyl)prop-2-enoic acid, 3-bromo-4methoxycinnamic acid, 3-Bromo-4-methoxycynamic acid, Ethyl 5-(2-pyridyl)-2-furoate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H9BrO3 |
| Molecular Weight | 255.97351 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.97351 Da |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
| SMILES | COC1=C(C=C(C=C1)C=CC(=O)O)Br |
| InChIKey | VTHCKJFXUYPZAO-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid
Property Insights of 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid?
The CAS number of 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid is 1035235-03-0.
What is the molecular formula of 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid?
The molecular formula of 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid is C10H9BrO3.
What is the molecular weight of 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid?
The molecular weight of 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid is 255.97351 g/mol.
Where can I buy 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid?
You can request a quote for 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(3-Bromo-4-methoxyphenyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.