5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
TL;DR: 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid (CAS 125483-00-3) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
Also Known As: 5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid, 5-(tert-Butyl)-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxylic acid, BAS 10826984, 2848AC, 3-amino-4-(trifluoromethyl)benzoic acid
Technical Specifications
| Molecular Formula | C12H17NO3 |
| Molecular Weight | 223.12085 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.12085 Da |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
| SMILES | CC(C)(C)C1CCC2=C(C1)C(=NO2)C(=O)O |
| InChIKey | YAICHDLMXOAJLD-UHFFFAOYSA-N |
Chemical Property Profile of 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
Property Insights of 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid has 1 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 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid?
The CAS number of 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid is 125483-00-3.
What is the molecular formula of 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid?
The molecular formula of 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid is C12H17NO3.
What is the molecular weight of 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid?
The molecular weight of 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid is 223.12085 g/mol.
Where can I buy 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid?
You can request a quote for 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-tert-Butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.