Ibuprofen methyl ester
TL;DR: Ibuprofen methyl ester (CAS 61566-34-5) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[4-(2-methylpropyl)phenyl]propanoate
Also Known As: Ibuprofen methyl ester, Methyl 2-(4-isobutylphenyl)propanoate, Motrin methyl ester, Ibuprofen methyl, Ibuprofen methyl deriv
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.14633 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.14633 Da |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC |
| InChIKey | YNZYUHPFNYBBFF-UHFFFAOYSA-N |
Chemical Property Profile of Ibuprofen methyl ester
Property Insights of Ibuprofen methyl ester
The XLogP value of 3.8 indicates that Ibuprofen methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ibuprofen methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ibuprofen methyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ibuprofen methyl ester?
The CAS number of Ibuprofen methyl ester is 61566-34-5.
What is the molecular formula of Ibuprofen methyl ester?
The molecular formula of Ibuprofen methyl ester is C14H20O2.
What is the molecular weight of Ibuprofen methyl ester?
The molecular weight of Ibuprofen methyl ester is 220.14633 g/mol.
Where can I buy Ibuprofen methyl ester?
You can request a quote for Ibuprofen methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ibuprofen methyl ester?
Yes, CoreyChem provides custom synthesis services for Ibuprofen methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.