ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate
TL;DR: ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate (CAS 321165-14-4) is a chemical compound with molecular formula C8H10N4O6 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-methyl-3,4-dinitropyrazol-1-yl)acetate
Also Known As: ethyl 2-(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate, ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate, ethyl 2-(5-methyl-3,4-dinitropyrazol-1-yl)acetate, BAS 00398077, (5-Methyl-3,4-dinitro-pyrazol-1-yl)-acetic acid ethyl ester
| Molecular Formula | C8H10N4O6 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 0.57102 |
| Topological Polar Surface Area | 130.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.06003 |
| Heavy Atoms | 18 |
| Complexity | 507.9306 |
Chemical Identifiers
| CAS Number | 321165-14-4 |
|---|---|
| SMILES | CCOC(=O)CN1C(=C(C(=N1)[N+](=O)[O-])[N+](=O)[O-])C |
Product Overview
ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate (CAS 321165-14-4), with molecular formula C8H10N4O6 and molecular weight 258.06 g/mol. IUPAC: ethyl 2-(5-methyl-3,4-dinitropyrazol-1-yl)acetate.
Chemical Property Profile of ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate
Property Insights of ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate
The XLogP value of 0.57102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate. The TPSA of 130.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate. Following Lipinski's Rule of Five, ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate has 0 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 ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate?
The CAS number of ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate is 321165-14-4.
What is the molecular formula of ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate?
The molecular formula of ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate is C8H10N4O6.
What is the molecular weight of ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate?
The molecular weight of ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate is 258.06 g/mol.
Where can I buy ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate?
You can request a quote for ethyl (5-methyl-3,4-dinitro-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 (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (5-methyl-3,4-dinitro-1H-pyrazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.