苯基丁酸钠
TL;DR: 苯基丁酸钠 (CAS 1716-12-7) is a chemical compound with molecular formula C10H11NaO2 and molecular weight 186.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯基丁酸钠
sodium 4-phenylbutanoate
Also Known As: Sodium 4-phenylbutyrate, SODIUM PHENYLBUTYRATE, sodium 4-phenylbutanoate, Buphenyl, TriButyrate
| Molecular Formula | C10H11NaO2 |
|---|---|
| Molecular Weight | 186.07 g/mol |
| LogP | -2.24 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.06567 |
| Heavy Atoms | 13 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 1716-12-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC(=O)[O-].[Na+] |
| InChIKey | VPZRWNZGLKXFOE-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯基丁酸钠 (CAS 1716-12-7), with molecular formula C10H11NaO2 and molecular weight 186.07 g/mol. IUPAC: sodium 4-phenylbutanoate.
Chemical Property Profile of 苯基丁酸钠
Property Insights of 苯基丁酸钠
The XLogP value of -2.24 indicates that 苯基丁酸钠 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, 苯基丁酸钠 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯基丁酸钠 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
Frequently Asked Questions
What is the CAS number of 苯基丁酸钠?
The CAS number of 苯基丁酸钠 is 1716-12-7.
What is the molecular formula of 苯基丁酸钠?
The molecular formula of 苯基丁酸钠 is C10H11NaO2.
What is the molecular weight of 苯基丁酸钠?
The molecular weight of 苯基丁酸钠 is 186.07 g/mol.
Where can I buy 苯基丁酸钠?
You can request a quote for 苯基丁酸钠 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯基丁酸钠?
Yes, KEHONG BIO provides custom synthesis services for 苯基丁酸钠 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.