Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
TL;DR: Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate (CAS 133747-58-7) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
Also Known As: methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate, Methyl 5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate, BAS 00447853, BB 0246436, Methyl 5-oxo-1-(p-tolyl)-3-pyrrolidinecarboxylate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H15NO3 |
| Molecular Weight | 233.1052 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.1052 Da |
| Heavy Atoms | 17 |
| Complexity | 308.0 |
| SMILES | CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OC |
| InChIKey | TVSDUAUFGOYHLR-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
Property Insights of Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-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 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The CAS number of Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate is 133747-58-7.
What is the molecular formula of Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The molecular formula of Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate is C13H15NO3.
What is the molecular weight of Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
The molecular weight of Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate is 233.1052 g/mol.
Where can I buy Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
You can request a quote for Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.