3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid
TL;DR: 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid (CAS 13811-12-6) is a chemical compound with molecular formula C9H8Br2O3 and molecular weight 321.88403 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid
Also Known As: 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid, 3,5-Dibromophloretic acid, 4066AD, benzenepropanoic acid, 3,5-dibromo-4-hydroxy-, 3-(3,5-Dibromo-4-hydroxyphenyl)propionic acid
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8Br2O3 |
| Molecular Weight | 321.88403 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.88403 Da |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
| SMILES | C1=C(C=C(C(=C1Br)O)Br)CCC(=O)O |
| InChIKey | RYXMOITYFVDWIR-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid
Property Insights of 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid has 2 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-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid?
The CAS number of 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid is 13811-12-6.
What is the molecular formula of 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid?
The molecular formula of 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid is C9H8Br2O3.
What is the molecular weight of 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid?
The molecular weight of 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid is 321.88403 g/mol.
Where can I buy 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid?
You can request a quote for 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.