2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate
TL;DR: 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate (CAS 956729-48-9) is a chemical compound with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-2-yl 2-(5-methyl-3-nitropyrazol-1-yl)acetate
Also Known As: 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate, naphthalen-2-yl 2-(5-methyl-3-nitropyrazol-1-yl)acetate, 2-naphthyl 2-(5-methyl-3-nitropyrazolyl)acetate, 2-naphthyl (5-methyl-3-nitro-1H-pyrazol-1-yl)acetate, naphthalen-2-yl (5-methyl-3-nitro-1H-pyrazol-1-yl)acetate
| Molecular Formula | C16H13N3O4 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 2.85852 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0906 |
| Heavy Atoms | 23 |
| Complexity | 901.2317 |
Chemical Identifiers
| CAS Number | 956729-48-9 |
|---|---|
| SMILES | CC1=CC(=NN1CC(=O)OC2=CC3=CC=CC=C3C=C2)[N+](=O)[O-] |
Product Overview
2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate (CAS 956729-48-9), with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol. IUPAC: naphthalen-2-yl 2-(5-methyl-3-nitropyrazol-1-yl)acetate.
Chemical Property Profile of 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate
Property Insights of 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate
The XLogP value of 2.85852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate. Following Lipinski's Rule of Five, 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate has 0 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 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate?
The CAS number of 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate is 956729-48-9.
What is the molecular formula of 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate?
The molecular formula of 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate is C16H13N3O4.
What is the molecular weight of 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate?
The molecular weight of 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate is 311.09 g/mol.
Where can I buy 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate?
You can request a quote for 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthalenyl 5-methyl-3-nitro-1H-pyrazole-1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.