Methyl 3-methyl-3-phenyloxirane-2-carboxylate
TL;DR: Methyl 3-methyl-3-phenyloxirane-2-carboxylate (CAS 102613-27-4) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-methyl-3-phenyloxirane-2-carboxylate
Also Known As: methyl 3-methyl-3-phenyloxirane-2-carboxylate, methyl 3-phenyl-2,3-epoxybutyrate, Methyl beta-methyl-beta-phenylglycidate, 3-Methyl-3-phenyl-2-oxiranecarboxylic Acid Methyl Ester, 3-methyl-3-phenyl-oxiranecarboxylic acid methyl ester
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.07864 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.07864 Da |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
| SMILES | CC1(C(O1)C(=O)OC)C2=CC=CC=C2 |
| InChIKey | AGZSSAGYWIIPFE-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-methyl-3-phenyloxirane-2-carboxylate
Property Insights of Methyl 3-methyl-3-phenyloxirane-2-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methyl-3-phenyloxirane-2-carboxylate. With a topological polar surface area (TPSA) of 38.8 Ų, Methyl 3-methyl-3-phenyloxirane-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-methyl-3-phenyloxirane-2-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3-methyl-3-phenyloxirane-2-carboxylate?
The CAS number of Methyl 3-methyl-3-phenyloxirane-2-carboxylate is 102613-27-4.
What is the molecular formula of Methyl 3-methyl-3-phenyloxirane-2-carboxylate?
The molecular formula of Methyl 3-methyl-3-phenyloxirane-2-carboxylate is C11H12O3.
What is the molecular weight of Methyl 3-methyl-3-phenyloxirane-2-carboxylate?
The molecular weight of Methyl 3-methyl-3-phenyloxirane-2-carboxylate is 192.07864 g/mol.
Where can I buy Methyl 3-methyl-3-phenyloxirane-2-carboxylate?
You can request a quote for Methyl 3-methyl-3-phenyloxirane-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-methyl-3-phenyloxirane-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-methyl-3-phenyloxirane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.