(4-Tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
TL;DR: (4-Tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate (CAS 1002685-41-7) is a chemical compound with molecular formula C17H21NO3 and molecular weight 287.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
Also Known As: (4-tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate, 4-Isoxazolecarboxylic acid, 3,5-dimethyl-, 4-(1,1-dimethylethyl)-2-methylphenyl ester
| Molecular Formula | C17H21NO3 |
|---|---|
| Molecular Weight | 287.15 g/mol |
| LogP | 4.11656 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.15213 |
| Heavy Atoms | 21 |
| Complexity | 658.32904 |
Chemical Identifiers
| CAS Number | 1002685-41-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=C(ON=C2C)C |
Product Overview
(4-Tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate (CAS 1002685-41-7), with molecular formula C17H21NO3 and molecular weight 287.15 g/mol. IUPAC: (4-tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of (4-Tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
Property Insights of (4-Tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
The XLogP value of 4.11656 indicates that (4-Tert-butyl-2-methylphenyl) 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 52.33 Ų, (4-Tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Tert-butyl-2-methylphenyl) 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
Frequently Asked Questions
What is the CAS number of (4-Tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The CAS number of (4-Tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate is 1002685-41-7.
What is the molecular formula of (4-Tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The molecular formula of (4-Tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate is C17H21NO3.
What is the molecular weight of (4-Tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The molecular weight of (4-Tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate is 287.15 g/mol.
Where can I buy (4-Tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
You can request a quote for (4-Tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-Tert-butyl-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.