![methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate structure](/static/products/444/444776-61-8.png)
methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate
TL;DR: methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate (CAS 444776-61-8) is a chemical compound with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzoate
Also Known As: methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate, methyl 2-[(2Z)-2-(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl]benzoate, (Z)-methyl 2-(2-(3-methyl-5-oxo-1H-pyrazol-4(5H)-ylidene)hydrazinyl)benzoate, 2-{N'-[3-Methyl-5-oxo-1,5-dihydro-pyrazol-(4Z)-ylidene]-hydrazino}-benzoic acid methyl ester
| Molecular Formula | C12H12N4O3 |
|---|---|
| Molecular Weight | 260.09 g/mol |
| LogP | 2.21342 |
| Topological Polar Surface Area | 99.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.09094 |
| Heavy Atoms | 19 |
| Complexity | 684.2781 |
Chemical Identifiers
| CAS Number | 444776-61-8 |
|---|---|
| SMILES | CC1=C(C(=O)NN1)N=NC2=CC=CC=C2C(=O)OC |
Product Overview
methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate (CAS 444776-61-8), with molecular formula C12H12N4O3 and molecular weight 260.09 g/mol. IUPAC: methyl 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzoate.
Chemical Property Profile of methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate
Property Insights of methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate
The XLogP value of 2.21342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate. The TPSA of 99.67 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate. Following Lipinski's Rule of Five, methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate has 2 hydrogen bond donor(s) and 5 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 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate?
The CAS number of methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate is 444776-61-8.
What is the molecular formula of methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate?
The molecular formula of methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate is C12H12N4O3.
What is the molecular weight of methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate?
The molecular weight of methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate is 260.09 g/mol.
Where can I buy methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate?
You can request a quote for methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[2-(3-methyl-5-oxopyrazol-4-yl)hydrazinyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.