![Benzo[D]oxazol-6-ylboronic acid structure](/static/products/1253/1253912-47-8.webp)
Benzo[D]oxazol-6-ylboronic acid
TL;DR: Benzo[D]oxazol-6-ylboronic acid (CAS 1253912-47-8) is a chemical compound with molecular formula C7H6BNO3 and molecular weight 163.04407 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-benzoxazol-6-ylboronic acid
Also Known As: BENZO[D]OXAZOL-6-YLBORONIC ACID, Benzoxazole-6-boronic Acid, 1,3-benzoxazol-6-ylboronic acid, Benzo[D]oxazol-6-ylboronicacid, Benzooxazol-6-ylboronic Acid
Technical Specifications
| Molecular Formula | C7H6BNO3 |
| Molecular Weight | 163.04407 g/mol |
| XLogP | -0.4924 |
| Topological Polar Surface Area (TPSA) | 66.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.04407 Da |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
| SMILES | B(C1=CC2=C(C=C1)N=CO2)(O)O |
| InChIKey | ZMNCHLJKWPCQFR-UHFFFAOYSA-N |
Chemical Property Profile of Benzo[D]oxazol-6-ylboronic acid
Property Insights of Benzo[D]oxazol-6-ylboronic acid
The XLogP value of -0.4924 indicates that Benzo[D]oxazol-6-ylboronic 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 Benzo[D]oxazol-6-ylboronic acid. Following Lipinski's Rule of Five, Benzo[D]oxazol-6-ylboronic 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 Benzo[D]oxazol-6-ylboronic acid?
The CAS number of Benzo[D]oxazol-6-ylboronic acid is 1253912-47-8.
What is the molecular formula of Benzo[D]oxazol-6-ylboronic acid?
The molecular formula of Benzo[D]oxazol-6-ylboronic acid is C7H6BNO3.
What is the molecular weight of Benzo[D]oxazol-6-ylboronic acid?
The molecular weight of Benzo[D]oxazol-6-ylboronic acid is 163.04407 g/mol.
Where can I buy Benzo[D]oxazol-6-ylboronic acid?
You can request a quote for Benzo[D]oxazol-6-ylboronic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzo[D]oxazol-6-ylboronic acid?
Yes, CoreyChem provides custom synthesis services for Benzo[D]oxazol-6-ylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.