3-Hydroxy-1,2-benzisoxazole
TL;DR: 3-Hydroxy-1,2-benzisoxazole (CAS 103213-31-6) is a chemical compound with molecular formula C7H5NO2 and molecular weight 135.03203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-benzoxazol-3-one
Also Known As: benzo[d]isoxazol-3-ol, 1,2-benzoxazol-3-ol, 1,2-Benzisoxazol-3(2H)-one, 3-Hydroxybenzisoxazole, 1,2-benzoxazol-3-one
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5NO2 |
| Molecular Weight | 135.03203 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.03203 Da |
| Heavy Atoms | 10 |
| Complexity | 158.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)NO2 |
| InChIKey | QLDQYRDCPNBPII-UHFFFAOYSA-N |
Chemical Property Profile of 3-Hydroxy-1,2-benzisoxazole
Property Insights of 3-Hydroxy-1,2-benzisoxazole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-1,2-benzisoxazole. With a topological polar surface area (TPSA) of 38.3 Ų, 3-Hydroxy-1,2-benzisoxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-1,2-benzisoxazole has 1 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-Hydroxy-1,2-benzisoxazole?
The CAS number of 3-Hydroxy-1,2-benzisoxazole is 103213-31-6.
What is the molecular formula of 3-Hydroxy-1,2-benzisoxazole?
The molecular formula of 3-Hydroxy-1,2-benzisoxazole is C7H5NO2.
What is the molecular weight of 3-Hydroxy-1,2-benzisoxazole?
The molecular weight of 3-Hydroxy-1,2-benzisoxazole is 135.03203 g/mol.
Where can I buy 3-Hydroxy-1,2-benzisoxazole?
You can request a quote for 3-Hydroxy-1,2-benzisoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxy-1,2-benzisoxazole?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxy-1,2-benzisoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.