![methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate structure](/static/products/433/433687-35-5.png)
methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate
TL;DR: methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate (CAS 433687-35-5) is a chemical compound with molecular formula C17H18N4O4 and molecular weight 342.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]benzoate
Also Known As: methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate, methyl 4-(bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl)benzoate, methyl 4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]benzoate
| Molecular Formula | C17H18N4O4 |
|---|---|
| Molecular Weight | 342.13 g/mol |
| LogP | 1.30304 |
| Topological Polar Surface Area | 123.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.1328 |
| Heavy Atoms | 25 |
| Complexity | 965.8429 |
Chemical Identifiers
| CAS Number | 433687-35-5 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)C(=O)OC)C3=C(NNC3=O)C |
Product Overview
methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate (CAS 433687-35-5), with molecular formula C17H18N4O4 and molecular weight 342.13 g/mol. IUPAC: methyl 4-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]benzoate.
Chemical Property Profile of methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate
Property Insights of methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate
The XLogP value of 1.30304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate. The TPSA of 123.6 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate has 4 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-1H-pyrazol-4-yl)methyl]benzoate?
The CAS number of methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate is 433687-35-5.
What is the molecular formula of methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate?
The molecular formula of methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate is C17H18N4O4.
What is the molecular weight of methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate?
The molecular weight of methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate is 342.13 g/mol.
Where can I buy methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate?
You can request a quote for methyl 4-[bis(5-hydroxy-3-methyl-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-1H-pyrazol-4-yl)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[bis(5-hydroxy-3-methyl-1H-pyrazol-4-yl)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.