Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate
TL;DR: Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate (CAS 514799-06-5) is a chemical compound with molecular formula C8H11N3O5 and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-methoxy-4-nitropyrazol-1-yl)acetate
Also Known As: Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate, ethyl 2-(3-methoxy-4-nitropyrazol-1-yl)acetate, ethyl (3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate, (3-Methoxy-4-nitro-pyrazol-1-yl)-acetic acid ethyl ester, ethyl 2-(3-methoxy-4-nitropyrazolyl)acetate
| Molecular Formula | C8H11N3O5 |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 0.363 |
| Topological Polar Surface Area | 96.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 229.06987 |
| Heavy Atoms | 16 |
| Complexity | 400.37808 |
Chemical Identifiers
| CAS Number | 514799-06-5 |
|---|---|
| SMILES | CCOC(=O)CN1C=C(C(=N1)OC)[N+](=O)[O-] |
Product Overview
Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate (CAS 514799-06-5), with molecular formula C8H11N3O5 and molecular weight 229.07 g/mol. IUPAC: ethyl 2-(3-methoxy-4-nitropyrazol-1-yl)acetate.
Chemical Property Profile of Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate
Property Insights of Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate
The XLogP value of 0.363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate. The TPSA of 96.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-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 Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate?
The CAS number of Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate is 514799-06-5.
What is the molecular formula of Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate?
The molecular formula of Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate is C8H11N3O5.
What is the molecular weight of Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate?
The molecular weight of Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate is 229.07 g/mol.
Where can I buy Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate?
You can request a quote for Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-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 Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-methoxy-4-nitro-1H-pyrazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.