ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate
TL;DR: ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate (CAS 82235-82-3) is a chemical compound with molecular formula C7H9BrN2O2 and molecular weight 231.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-bromopyrazol-1-yl)acetate
Also Known As: Ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate, hexacosyl acetate, ethyl (4-bromo-1H-pyrazol-1-yl)acetate, ethyl 2-(4-bromopyrazol-1-yl)acetate, 3,3-AZODIBENZOICACID
| Molecular Formula | C7H9BrN2O2 |
|---|---|
| Molecular Weight | 231.98 g/mol |
| LogP | 1.2087 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.98474 |
| Heavy Atoms | 12 |
| Complexity | 272.12503 |
Chemical Identifiers
| CAS Number | 82235-82-3 |
|---|---|
| SMILES | CCOC(=O)CN1C=C(C=N1)Br |
Product Overview
ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate (CAS 82235-82-3), with molecular formula C7H9BrN2O2 and molecular weight 231.98 g/mol. IUPAC: ethyl 2-(4-bromopyrazol-1-yl)acetate.
Chemical Property Profile of ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate
Property Insights of ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate
The XLogP value of 1.2087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate. With a topological polar surface area (TPSA) of 44.12 Ų, ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate has 0 hydrogen bond donor(s) and 3 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-(4-bromo-1H-pyrazol-1-yl)acetate?
The CAS number of ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate is 82235-82-3.
What is the molecular formula of ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate?
The molecular formula of ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate is C7H9BrN2O2.
What is the molecular weight of ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate?
The molecular weight of ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate is 231.98 g/mol.
Where can I buy ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate?
You can request a quote for ethyl 2-(4-bromo-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-(4-bromo-1H-pyrazol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.