2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid
TL;DR: 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid (CAS 1016713-62-4) is a chemical compound with molecular formula C8H5NO4 and molecular weight 179.02185 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-oxo-3H-1,3-benzoxazole-6-carboxylic acid
Also Known As: 2-oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid, 2-oxo-3H-1,3-benzoxazole-6-carboxylic acid, 2-oxo-2,3-dihydrobenzo[d]oxazole-6-carboxylic acid, 2-oxobenzoxazole-6-carboxylic acid, 2-Hydroxybenzo[d]oxazole-6-carboxylic acid
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H5NO4 |
| Molecular Weight | 179.02185 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.02185 Da |
| Heavy Atoms | 13 |
| Complexity | 253.0 |
| SMILES | C1=CC2=C(C=C1C(=O)O)OC(=O)N2 |
| InChIKey | BZRKWTCIDCRBMY-UHFFFAOYSA-N |
Chemical Property Profile of 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid
Property Insights of 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid. Following Lipinski's Rule of Five, 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic 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 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid?
The CAS number of 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid is 1016713-62-4.
What is the molecular formula of 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid?
The molecular formula of 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid is C8H5NO4.
What is the molecular weight of 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid?
The molecular weight of 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid is 179.02185 g/mol.
Where can I buy 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid?
You can request a quote for 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.