2-Phenylbutyric anhydride
TL;DR: 2-Phenylbutyric anhydride (CAS 1519-21-7) is a chemical compound with molecular formula C20H22O3 and molecular weight 310.1569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylbutanoyl 2-phenylbutanoate
Also Known As: 2-Phenylbutyric acid anhydride, 2-phenylbutanoic anhydride, 2-Phenylbutyric anhydride, 2-phenylbutanoyl 2-phenylbutanoate, phenylbutyric anhydride
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H22O3 |
| Molecular Weight | 310.1569 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.1569 Da |
| Heavy Atoms | 23 |
| Complexity | 342.0 |
| SMILES | CCC(C1=CC=CC=C1)C(=O)OC(=O)C(CC)C2=CC=CC=C2 |
| InChIKey | NMVCQWBTTHDUQD-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenylbutyric anhydride
Property Insights of 2-Phenylbutyric anhydride
The XLogP value of 4.9 indicates that 2-Phenylbutyric anhydride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Phenylbutyric anhydride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylbutyric anhydride 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 2-Phenylbutyric anhydride?
The CAS number of 2-Phenylbutyric anhydride is 1519-21-7.
What is the molecular formula of 2-Phenylbutyric anhydride?
The molecular formula of 2-Phenylbutyric anhydride is C20H22O3.
What is the molecular weight of 2-Phenylbutyric anhydride?
The molecular weight of 2-Phenylbutyric anhydride is 310.1569 g/mol.
Where can I buy 2-Phenylbutyric anhydride?
You can request a quote for 2-Phenylbutyric anhydride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenylbutyric anhydride?
Yes, CoreyChem provides custom synthesis services for 2-Phenylbutyric anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.