Methyl 3-phenylpropionate
TL;DR: Methyl 3-phenylpropionate (CAS 103-25-3) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-phenylpropanoate
Also Known As: Methyl 3-phenylpropionate, Methyl 3-phenylpropanoate, Methyl hydrocinnamate, Benzenepropanoic acid, methyl ester, Methyl benzenepropanoate
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
| Boiling Point | 91.00 to 92.00 °C. @ 4.00 mm Hg |
| Density | 1.037-1.045 |
| Refractive Index | 1.499-1.505 |
| Solubility | insoluble in water |
| SMILES | COC(=O)CCC1=CC=CC=C1 |
| InChIKey | RPUSRLKKXPQSGP-UHFFFAOYSA-N |
Product Description
Applications: Methyl 3-phenylpropionate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Methyl 3-phenylpropionate (CAS 103-25-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Methyl 3-phenylpropionate (CAS 103-25-3) is a pharmaceutical intermediate with the molecular formula C10H12O2 and a molecular weight of 164.08 g/mol. Key physical properties include a density of 1.037-1.045 g/cm³, a solubility: insoluble in water. It is also known as Methyl 3-phenylpropionate and Methyl 3-phenylpropanoate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Methyl 3-phenylpropionate
Property Insights of Methyl 3-phenylpropionate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-phenylpropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-phenylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-phenylpropionate 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 Methyl 3-phenylpropionate?
The CAS number of Methyl 3-phenylpropionate is 103-25-3.
What is the molecular formula of Methyl 3-phenylpropionate?
The molecular formula of Methyl 3-phenylpropionate is C10H12O2.
What is the molecular weight of Methyl 3-phenylpropionate?
The molecular weight of Methyl 3-phenylpropionate is 164.08372 g/mol.
What are the applications of Methyl 3-phenylpropionate?
Methyl 3-phenylpropionate is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Methyl 3-phenylpropionate...
Where can I buy Methyl 3-phenylpropionate?
You can request a quote for Methyl 3-phenylpropionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-phenylpropionate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-phenylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.