Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
TL;DR: Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate (CAS 956706-86-8) is a chemical compound with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
Also Known As: phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate, 2-Oxo-2-phenylethyl (3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetate
| Molecular Formula | C15H15N3O5 |
|---|---|
| Molecular Weight | 317.10 g/mol |
| LogP | 1.83424 |
| Topological Polar Surface Area | 104.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.10117 |
| Heavy Atoms | 23 |
| Complexity | 751.9729 |
Chemical Identifiers
| CAS Number | 956706-86-8 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)OCC(=O)C2=CC=CC=C2)C)[N+](=O)[O-] |
Product Overview
Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate (CAS 956706-86-8), with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol. IUPAC: phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate.
Chemical Property Profile of Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
Property Insights of Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate
The XLogP value of 1.83424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate. The TPSA of 104.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate. Following Lipinski's Rule of Five, Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate has 0 hydrogen bond donor(s) and 6 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 Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate?
The CAS number of Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate is 956706-86-8.
What is the molecular formula of Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate?
The molecular formula of Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate is C15H15N3O5.
What is the molecular weight of Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate?
The molecular weight of Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate is 317.10 g/mol.
Where can I buy Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate?
You can request a quote for Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenacyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.