ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate
TL;DR: ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate (CAS 375832-45-4) is a chemical compound with molecular formula C7H8BrN3O4 and molecular weight 276.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-bromo-3-nitropyrazol-1-yl)acetate
Also Known As: ethyl 2-(4-bromo-3-nitropyrazol-1-yl)acetate, ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate, ethyl 2-(4-bromo-3-nitro-1H-pyrazol-1-yl)acetate
| Molecular Formula | C7H8BrN3O4 |
|---|---|
| Molecular Weight | 276.97 g/mol |
| LogP | 1.1169 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.96982 |
| Heavy Atoms | 15 |
| Complexity | 389.58707 |
Chemical Identifiers
| CAS Number | 375832-45-4 |
|---|---|
| SMILES | CCOC(=O)CN1C=C(C(=N1)[N+](=O)[O-])Br |
Product Overview
ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate (CAS 375832-45-4), with molecular formula C7H8BrN3O4 and molecular weight 276.97 g/mol. IUPAC: ethyl 2-(4-bromo-3-nitropyrazol-1-yl)acetate.
Chemical Property Profile of ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate
Property Insights of ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate
The XLogP value of 1.1169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate. Following Lipinski's Rule of Five, ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)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 ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate?
The CAS number of ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate is 375832-45-4.
What is the molecular formula of ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate?
The molecular formula of ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate is C7H8BrN3O4.
What is the molecular weight of ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate?
The molecular weight of ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate is 276.97 g/mol.
Where can I buy ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate?
You can request a quote for ethyl (4-bromo-3-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 (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (4-bromo-3-nitro-1H-pyrazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.