2-Phenylbutyric Acid
TL;DR: 2-Phenylbutyric Acid (CAS 90-27-7) 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.
2-phenylbutanoic acid
Also Known As: 2-Phenylbutyric acid, 2-Phenylbutanoic acid, alpha-Ethylphenylacetic acid, Phenylbutyric acid, alpha-Phenylbutyric acid
Application Areas
Top 5 of 21 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) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
| Melting Point | 47.5 °C |
| Solubility | 417 mg/mL |
| SMILES | CCC(C1=CC=CC=C1)C(=O)O |
| InChIKey | OFJWFSNDPCAWDK-UHFFFAOYSA-N |
Product Description
Applications: 2-Phenylbutyric Acid 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 2-Phenylbutyric Acid (CAS 90-27-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Phenylbutyric Acid is a pharmaceutical intermediate identified by CAS number 90-27-7 and the molecular formula C10H12O2 and a molecular weight of 164.08 g/mol. Physically, the compound has a solubility: 417 mg/mL. It is also known as 2-Phenylbutyric acid and 2-Phenylbutanoic acid.
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 2-Phenylbutyric Acid
Property Insights of 2-Phenylbutyric Acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylbutyric Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Phenylbutyric Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylbutyric Acid has 1 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 2-Phenylbutyric Acid?
The CAS number of 2-Phenylbutyric Acid is 90-27-7.
What is the molecular formula of 2-Phenylbutyric Acid?
The molecular formula of 2-Phenylbutyric Acid is C10H12O2.
What is the molecular weight of 2-Phenylbutyric Acid?
The molecular weight of 2-Phenylbutyric Acid is 164.08372 g/mol.
What are the applications of 2-Phenylbutyric Acid?
2-Phenylbutyric Acid 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 2-Phenylbutyric Acid (CAS 90-27-7)...
Where can I buy 2-Phenylbutyric Acid?
You can request a quote for 2-Phenylbutyric Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenylbutyric Acid?
Yes, CoreyChem provides custom synthesis services for 2-Phenylbutyric Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.