Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate
TL;DR: Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate (CAS 175137-54-9) is a chemical compound with molecular formula C9H13BrN2O2 and molecular weight 260.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetate
Also Known As: Ethyl 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate, Maybridge1_004549, ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate, ethyl 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetate, AKOS B020545
| Molecular Formula | C9H13BrN2O2 |
|---|---|
| Molecular Weight | 260.02 g/mol |
| LogP | 1.82554 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.01605 |
| Heavy Atoms | 14 |
| Complexity | 346.8263 |
Chemical Identifiers
| CAS Number | 175137-54-9 |
|---|---|
| SMILES | CCOC(=O)CN1C(=C(C(=N1)C)Br)C |
Product Overview
Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate (CAS 175137-54-9), with molecular formula C9H13BrN2O2 and molecular weight 260.02 g/mol. IUPAC: ethyl 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetate.
Chemical Property Profile of Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate
Property Insights of Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate
The XLogP value of 1.82554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate. With a topological polar surface area (TPSA) of 44.12 Ų, Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (4-bromo-3,5-dimethyl-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 (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate?
The CAS number of Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate is 175137-54-9.
What is the molecular formula of Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate?
The molecular formula of Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate is C9H13BrN2O2.
What is the molecular weight of Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate?
The molecular weight of Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate is 260.02 g/mol.
Where can I buy Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate?
You can request a quote for Ethyl (4-bromo-3,5-dimethyl-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-3,5-dimethyl-1H-pyrazol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.