![methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate structure](/static/products/100/1005844-44-9.png)
methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate
TL;DR: methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate (CAS 1005844-44-9) is a chemical compound with molecular formula C16H17N5O5 and molecular weight 359.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate
Also Known As: methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate, (E)-methyl 4-((2-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl)hydrazono)methyl)benzoate, methyl 4-[(E)-{2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetyl]hydrazinylidene}methyl]benzoate
| Molecular Formula | C16H17N5O5 |
|---|---|
| Molecular Weight | 359.12 g/mol |
| LogP | 1.34504 |
| Topological Polar Surface Area | 128.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.12296 |
| Heavy Atoms | 26 |
| Complexity | 869.90076 |
Chemical Identifiers
| CAS Number | 1005844-44-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)N/N=C/C2=CC=C(C=C2)C(=O)OC)C)[N+](=O)[O-] |
Product Overview
methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate (CAS 1005844-44-9), with molecular formula C16H17N5O5 and molecular weight 359.12 g/mol. IUPAC: methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate
Property Insights of methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate
The XLogP value of 1.34504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate. The TPSA of 128.72 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate has 1 hydrogen bond donor(s) and 7 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-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate?
The CAS number of methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate is 1005844-44-9.
What is the molecular formula of methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate?
The molecular formula of methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate is C16H17N5O5.
What is the molecular weight of methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate?
The molecular weight of methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate is 359.12 g/mol.
Where can I buy methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate?
You can request a quote for methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]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-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(E)-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]hydrazinylidene]methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.