(2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
TL;DR: (2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate (CAS 1002684-86-7) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,3,6-trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
Also Known As: (2,3,6-trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate, 4-Isoxazolecarboxylic acid, 3,5-dimethyl-, 2,3,6-trimethylphenyl ester
Technical Specifications
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.12085 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.12085 Da |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
| SMILES | CC1=C(C(=C(C=C1)C)OC(=O)C2=C(ON=C2C)C)C |
| InChIKey | OMPKSLTWFXYBHG-UHFFFAOYSA-N |
Chemical Property Profile of (2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
Property Insights of (2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
The XLogP value of 3.7 indicates that (2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, (2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate has 0 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 (2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The CAS number of (2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate is 1002684-86-7.
What is the molecular formula of (2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The molecular formula of (2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate is C15H17NO3.
What is the molecular weight of (2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The molecular weight of (2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate is 259.12085 g/mol.
Where can I buy (2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
You can request a quote for (2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for (2,3,6-Trimethylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.