3,5-Dimethylisoxazole-4-boronic acid
TL;DR: 3,5-Dimethylisoxazole-4-boronic acid (CAS 126917-10-0) is a chemical compound with molecular formula C5H8BNO3 and molecular weight 141.05972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,5-dimethyl-1,2-oxazol-4-yl)boronic acid
Also Known As: 3,5-Dimethylisoxazole-4-boronic acid, null, (3,5-dimethylisoxazol-4-yl)boronic acid, (dimethyl-1,2-oxazol-4-yl)boronic acid, (3,5-dimethyl-1,2-oxazol-4-yl)boronic Acid
Technical Specifications
| Molecular Formula | C5H8BNO3 |
| Molecular Weight | 141.05972 g/mol |
| XLogP | -1.02876 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 141.05972 Da |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
| SMILES | B(C1=C(ON=C1C)C)(O)O |
| InChIKey | DIIFZCPZIRQDIJ-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Dimethylisoxazole-4-boronic acid
Property Insights of 3,5-Dimethylisoxazole-4-boronic acid
The XLogP value of -1.02876 indicates that 3,5-Dimethylisoxazole-4-boronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethylisoxazole-4-boronic acid. Following Lipinski's Rule of Five, 3,5-Dimethylisoxazole-4-boronic acid has 2 hydrogen bond donor(s) and 4 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-Dimethylisoxazole-4-boronic acid?
The CAS number of 3,5-Dimethylisoxazole-4-boronic acid is 126917-10-0.
What is the molecular formula of 3,5-Dimethylisoxazole-4-boronic acid?
The molecular formula of 3,5-Dimethylisoxazole-4-boronic acid is C5H8BNO3.
What is the molecular weight of 3,5-Dimethylisoxazole-4-boronic acid?
The molecular weight of 3,5-Dimethylisoxazole-4-boronic acid is 141.05972 g/mol.
Where can I buy 3,5-Dimethylisoxazole-4-boronic acid?
You can request a quote for 3,5-Dimethylisoxazole-4-boronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dimethylisoxazole-4-boronic acid?
Yes, CoreyChem provides custom synthesis services for 3,5-Dimethylisoxazole-4-boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.