3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid
TL;DR: 3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid (CAS 52991-03-4) is a chemical compound with molecular formula C11H13BrO4 and molecular weight 288.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid
Also Known As: 3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid, 5-diMethoxy, JSPY-st000119, 3-(2-Bromo-4,5-dimethoxyphenyl)propanoicacid, Benzenepropanoic acid, 2-bromo-4,5-dimethoxy- (9CI)
| Molecular Formula | C11H13BrO4 |
|---|---|
| Molecular Weight | 288.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.99973 |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 52991-03-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CCC(=O)O)Br)OC |
| InChIKey | SJTJBIRPIITRRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid (CAS 52991-03-4), with molecular formula C11H13BrO4 and molecular weight 288.00 g/mol. IUPAC: 3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid.
Chemical Property Profile of 3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid
Property Insights of 3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid has 1 hydrogen bond donor(s) and 4 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-4,5-dimethoxyphenyl)propanoic acid?
The CAS number of 3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid is 52991-03-4.
What is the molecular formula of 3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid?
The molecular formula of 3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid is C11H13BrO4.
What is the molecular weight of 3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid?
The molecular weight of 3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid is 288.00 g/mol.
Where can I buy 3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid?
You can request a quote for 3-(2-Bromo-4,5-dimethoxyphenyl)propanoic 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-4,5-dimethoxyphenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Bromo-4,5-dimethoxyphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.