![methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate structure](/static/products/325/325154-96-9.png)
methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate
TL;DR: methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate (CAS 325154-96-9) is a chemical compound with molecular formula C29H26N4O4 and molecular weight 494.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzoate
Also Known As: BAS 03419787, methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate, AJ-145/11825002, methyl 4-(bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)benzoate, methyl 4-[bis(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)methyl]benzoate
| Molecular Formula | C29H26N4O4 |
|---|---|
| Molecular Weight | 494.20 g/mol |
| LogP | 4.22824 |
| Topological Polar Surface Area | 101.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.1954 |
| Heavy Atoms | 37 |
| Complexity | 1576.5127 |
Chemical Identifiers
| CAS Number | 325154-96-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C3=CC=C(C=C3)C(=O)OC)C4=C(NN(C4=O)C5=CC=CC=C5)C |
Product Overview
methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate (CAS 325154-96-9), with molecular formula C29H26N4O4 and molecular weight 494.20 g/mol. IUPAC: methyl 4-[bis(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methyl]benzoate.
Chemical Property Profile of methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate
Property Insights of methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate
The XLogP value of 4.22824 indicates that methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.88 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate has 2 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 methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate?
The CAS number of methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate is 325154-96-9.
What is the molecular formula of methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate?
The molecular formula of methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate is C29H26N4O4.
What is the molecular weight of methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate?
The molecular weight of methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate is 494.20 g/mol.
Where can I buy methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate?
You can request a quote for methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.