2'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate
TL;DR: 2'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate (CAS 135588-54-4) is a chemical compound with molecular formula C16H19N2O3- and molecular weight 287.13956 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-3-[2-(methylamino)-3-(2-methylpropyl)phenyl]-1,2-oxazole-4-carboxylate
Also Known As: Nmmpmpch, 2'-(N-Methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate, 5-methyl-3-[2-(methylamino)-3-(2-methylpropyl)phenyl]-1,2-oxazole-4-carboxylate, 2/'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate
Technical Specifications
| Molecular Formula | C16H19N2O3- |
| Molecular Weight | 287.13956 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.13956 Da |
| Heavy Atoms | 21 |
| Complexity | 356.0 |
| SMILES | CC1=C(C(=NO1)C2=CC=CC(=C2NC)CC(C)C)C(=O)[O-] |
| InChIKey | JAUBDTZVXUZKFD-UHFFFAOYSA-M |
Chemical Property Profile of 2'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate
Property Insights of 2'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate
The XLogP value of 4.2 indicates that 2'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate. Following Lipinski's Rule of Five, 2'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate has 1 hydrogen bond donor(s) and 5 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'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate?
The CAS number of 2'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate is 135588-54-4.
What is the molecular formula of 2'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate?
The molecular formula of 2'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate is C16H19N2O3-.
What is the molecular weight of 2'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate?
The molecular weight of 2'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate is 287.13956 g/mol.
Where can I buy 2'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate?
You can request a quote for 2'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for 2'-(N-methylamino)-2-methylpropyl-5-methyl-3-phenylisoxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.