(4-Chloro-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
TL;DR: (4-Chloro-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate (CAS 1002684-68-5) is a chemical compound with molecular formula C13H12ClNO3 and molecular weight 265.05057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chloro-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
Also Known As: (4-chloro-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate, 4-Isoxazolecarboxylic acid, 3,5-dimethyl-, 4-chloro-2-methylphenyl ester
Technical Specifications
| Molecular Formula | C13H12ClNO3 |
| Molecular Weight | 265.05057 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 265.05057 Da |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
| SMILES | CC1=C(C=CC(=C1)Cl)OC(=O)C2=C(ON=C2C)C |
| InChIKey | HQLYGSRYYDQSMW-UHFFFAOYSA-N |
Chemical Property Profile of (4-Chloro-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
Property Insights of (4-Chloro-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate
The XLogP value of 3.6 indicates that (4-Chloro-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 52.3 Ų, (4-Chloro-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-Chloro-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
What is the CAS number of (4-Chloro-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The CAS number of (4-Chloro-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate is 1002684-68-5.
What is the molecular formula of (4-Chloro-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The molecular formula of (4-Chloro-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate is C13H12ClNO3.
What is the molecular weight of (4-Chloro-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The molecular weight of (4-Chloro-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate is 265.05057 g/mol.
Where can I buy (4-Chloro-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
You can request a quote for (4-Chloro-2-methylphenyl) 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 (4-Chloro-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for (4-Chloro-2-methylphenyl) 3,5-dimethyl-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.