Sodium Phenylbutyrate
TL;DR: Sodium Phenylbutyrate (CAS 1716-12-7) is a chemical compound with molecular formula C10H11NaO2 and molecular weight 186.06567 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 4-phenylbutanoate
Also Known As: Sodium 4-phenylbutyrate, SODIUM PHENYLBUTYRATE, sodium 4-phenylbutanoate, Buphenyl, TriButyrate
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H11NaO2 |
| Molecular Weight | 186.06567 g/mol |
| XLogP | -2.24 |
| Topological Polar Surface Area (TPSA) | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.06567 Da |
| Heavy Atoms | 13 |
| Complexity | 142.0 |
| SMILES | C1=CC=C(C=C1)CCCC(=O)[O-].[Na+] |
| InChIKey | VPZRWNZGLKXFOE-UHFFFAOYSA-M |
Product Description
Applications: Sodium Phenylbutyrate 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Sodium Phenylbutyrate (CAS 1716-12-7) has the molecular formula C10H11NaO2 and a molecular weight of 186.07 g/mol. Synonyms include Sodium 4-phenylbutyrate and SODIUM PHENYLBUTYRATE.
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 Sodium Phenylbutyrate
Property Insights of Sodium Phenylbutyrate
The XLogP value of -2.24 indicates that Sodium Phenylbutyrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.1 Ų, Sodium Phenylbutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium Phenylbutyrate 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 Sodium Phenylbutyrate?
The CAS number of Sodium Phenylbutyrate is 1716-12-7.
What is the molecular formula of Sodium Phenylbutyrate?
The molecular formula of Sodium Phenylbutyrate is C10H11NaO2.
What is the molecular weight of Sodium Phenylbutyrate?
The molecular weight of Sodium Phenylbutyrate is 186.06567 g/mol.
What are the applications of Sodium Phenylbutyrate?
Sodium Phenylbutyrate 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. Available from CoreyChem as both catalog item and...
Where can I buy Sodium Phenylbutyrate?
You can request a quote for Sodium Phenylbutyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sodium Phenylbutyrate?
Yes, CoreyChem provides custom synthesis services for Sodium Phenylbutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.