3,5-Dibromobenzeneboronic acid
TL;DR: 3,5-Dibromobenzeneboronic acid (CAS 117695-55-3) is a chemical compound with molecular formula C6H5BBr2O2 and molecular weight 277.87494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,5-dibromophenyl)boronic acid
Also Known As: 3,5-Dibromophenylboronic acid, 3,5-Dibromobenzeneboronic acid, (3,5-dibromophenyl)boronic Acid, Not Available, 3,5-Dibromophenyl boronic acid
Technical Specifications
| Molecular Formula | C6H5BBr2O2 |
| Molecular Weight | 277.87494 g/mol |
| XLogP | 0.8914 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.87494 Da |
| Heavy Atoms | 11 |
| Complexity | 124.0 |
| SMILES | B(C1=CC(=CC(=C1)Br)Br)(O)O |
| InChIKey | WQBLCGDZYFKINX-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Dibromobenzeneboronic acid
Property Insights of 3,5-Dibromobenzeneboronic acid
The XLogP value of 0.8914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dibromobenzeneboronic acid. With a topological polar surface area (TPSA) of 40.5 Ų, 3,5-Dibromobenzeneboronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dibromobenzeneboronic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,5-Dibromobenzeneboronic acid?
The CAS number of 3,5-Dibromobenzeneboronic acid is 117695-55-3.
What is the molecular formula of 3,5-Dibromobenzeneboronic acid?
The molecular formula of 3,5-Dibromobenzeneboronic acid is C6H5BBr2O2.
What is the molecular weight of 3,5-Dibromobenzeneboronic acid?
The molecular weight of 3,5-Dibromobenzeneboronic acid is 277.87494 g/mol.
Where can I buy 3,5-Dibromobenzeneboronic acid?
You can request a quote for 3,5-Dibromobenzeneboronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dibromobenzeneboronic acid?
Yes, CoreyChem provides custom synthesis services for 3,5-Dibromobenzeneboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.