Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate
TL;DR: Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate (CAS 5217-48-1) is a chemical compound with molecular formula C29H22N2O2 and molecular weight 430.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2-(3-methyl-1,5-diphenylpyrazol-4-yl)benzoate
Also Known As: Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate, phenyl 2-(3-methyl-1,5-diphenylpyrazol-4-yl)benzoate
| Molecular Formula | C29H22N2O2 |
|---|---|
| Molecular Weight | 430.17 g/mol |
| LogP | 6.73392 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.16812 |
| Heavy Atoms | 33 |
| Complexity | 1392.0459 |
Chemical Identifiers
| CAS Number | 5217-48-1 |
|---|---|
| SMILES | CC1=NN(C(=C1C2=CC=CC=C2C(=O)OC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate (CAS 5217-48-1), with molecular formula C29H22N2O2 and molecular weight 430.17 g/mol. IUPAC: phenyl 2-(3-methyl-1,5-diphenylpyrazol-4-yl)benzoate.
Chemical Property Profile of Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate
Property Insights of Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate
The XLogP value of 6.73392 indicates that Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate?
The CAS number of Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate is 5217-48-1.
What is the molecular formula of Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate?
The molecular formula of Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate is C29H22N2O2.
What is the molecular weight of Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate?
The molecular weight of Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate is 430.17 g/mol.
Where can I buy Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate?
You can request a quote for Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.