Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate
TL;DR: Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate (CAS 5252-93-7) is a chemical compound with molecular formula C16H13N2NaO2 and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-(5-phenyl-3,4-dihydropyrazol-2-yl)benzoate
Also Known As: BIM-0015478.P001, Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate, sodium 4-(5-phenyl-3,4-dihydropyrazol-2-yl)benzoate, sodium,4-(5-phenyl-3,4-dihydropyrazol-2-yl)benzoate, p-(3-Phenyl-2-pyrazolin-1-yl)benzoic acid sodium salt
| Molecular Formula | C16H13N2NaO2 |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | -1.3315 |
| Topological Polar Surface Area | 55.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.08746 |
| Heavy Atoms | 21 |
| Complexity | 653.737 |
Chemical Identifiers
| CAS Number | 5252-93-7 |
|---|---|
| SMILES | C1CN(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)[O-].[Na+] |
Product Overview
Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate (CAS 5252-93-7), with molecular formula C16H13N2NaO2 and molecular weight 288.09 g/mol. IUPAC: sodium 4-(5-phenyl-3,4-dihydropyrazol-2-yl)benzoate.
Chemical Property Profile of Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Property Insights of Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate
The XLogP value of -1.3315 indicates that Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.73 Ų, Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate has 0 hydrogen bond donor(s) and 4 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 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate?
The CAS number of Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate is 5252-93-7.
What is the molecular formula of Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate?
The molecular formula of Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate is C16H13N2NaO2.
What is the molecular weight of Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate?
The molecular weight of Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate is 288.09 g/mol.
Where can I buy Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate?
You can request a quote for Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.