ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate
TL;DR: ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate (CAS 1006463-63-3) is a chemical compound with molecular formula C16H19N3O3 and molecular weight 301.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate
Also Known As: ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate, ethyl (2E)-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)(hydroxyimino)acetate, ethyl 2-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(N-hydroxyimino)acetate, ethyl (2E)-2-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-(N-hydroxyimino)acetate, Ethyl 2-(1-benzyl-3,5-dimethyl-1h-pyrazol-4-yl)-2-(hydroxyimino)acetate
| Molecular Formula | C16H19N3O3 |
|---|---|
| Molecular Weight | 301.14 g/mol |
| LogP | 2.28964 |
| Topological Polar Surface Area | 76.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.14264 |
| Heavy Atoms | 22 |
| Complexity | 690.1616 |
Chemical Identifiers
| CAS Number | 1006463-63-3 |
|---|---|
| SMILES | CCOC(=O)/C(=N/O)/C1=C(N(N=C1C)CC2=CC=CC=C2)C |
Product Overview
ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate (CAS 1006463-63-3), with molecular formula C16H19N3O3 and molecular weight 301.14 g/mol. IUPAC: ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate.
Chemical Property Profile of ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate
Property Insights of ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate
The XLogP value of 2.28964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate. The TPSA of 76.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate. Following Lipinski's Rule of Five, ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate has 1 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 ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate?
The CAS number of ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate is 1006463-63-3.
What is the molecular formula of ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate?
The molecular formula of ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate is C16H19N3O3.
What is the molecular weight of ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate?
The molecular weight of ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate is 301.14 g/mol.
Where can I buy ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate?
You can request a quote for ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-hydroxyiminoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.