Sodium 3-methyl-4-phenyl-3-butenoate
TL;DR: Sodium 3-methyl-4-phenyl-3-butenoate (CAS 19488-17-6) is a chemical compound with molecular formula C11H12NaO2+ and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium (E)-3-methyl-4-phenylbut-3-enoic acid
Also Known As: Sodium 3-methyl-4-phenyl-3-butenoate, EINECS 243-109-0, sodium;(E)-3-methyl-4-phenylbut-3-enoic acid, sodium (E)-3-methyl-4-phenylbut-3-enoic acid
| Molecular Formula | C11H12NaO2+ |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | -0.4314 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.0735 |
| Heavy Atoms | 14 |
| Complexity | 317.31924 |
Chemical Identifiers
| CAS Number | 19488-17-6 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/CC(=O)O.[Na+] |
Product Overview
Sodium 3-methyl-4-phenyl-3-butenoate (CAS 19488-17-6), with molecular formula C11H12NaO2+ and molecular weight 199.07 g/mol. IUPAC: sodium (E)-3-methyl-4-phenylbut-3-enoic acid.
Chemical Property Profile of Sodium 3-methyl-4-phenyl-3-butenoate
Property Insights of Sodium 3-methyl-4-phenyl-3-butenoate
The XLogP value of -0.4314 indicates that Sodium 3-methyl-4-phenyl-3-butenoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.3 Ų, Sodium 3-methyl-4-phenyl-3-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium 3-methyl-4-phenyl-3-butenoate has 1 hydrogen bond donor(s) and 1 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 Sodium 3-methyl-4-phenyl-3-butenoate?
The CAS number of Sodium 3-methyl-4-phenyl-3-butenoate is 19488-17-6.
What is the molecular formula of Sodium 3-methyl-4-phenyl-3-butenoate?
The molecular formula of Sodium 3-methyl-4-phenyl-3-butenoate is C11H12NaO2+.
What is the molecular weight of Sodium 3-methyl-4-phenyl-3-butenoate?
The molecular weight of Sodium 3-methyl-4-phenyl-3-butenoate is 199.07 g/mol.
Where can I buy Sodium 3-methyl-4-phenyl-3-butenoate?
You can request a quote for Sodium 3-methyl-4-phenyl-3-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 3-methyl-4-phenyl-3-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 3-methyl-4-phenyl-3-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.