Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate
TL;DR: Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate (CAS 179110-53-3) is a chemical compound with molecular formula C12H11BrN2O2 and molecular weight 294.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate
Also Known As: Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate, ethyl 4-bromo-5-phenyl-1H-pyrazole-3-carboxylate, 5-ethoycarbonyl-4-bromo-3-phenylpyrazole, Ethyl 5-phenyl-4-bromopyrazole-3-carboxylate, ethyl 4-bromo-5-phenylpyrazole-3-carboxylate
| Molecular Formula | C12H11BrN2O2 |
|---|---|
| Molecular Weight | 294.00 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.0004 |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 179110-53-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=NN1)C2=CC=CC=C2)Br |
| InChIKey | QOYYSFIDHCIUSE-UHFFFAOYSA-N |
Product Overview
Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate (CAS 179110-53-3), with molecular formula C12H11BrN2O2 and molecular weight 294.00 g/mol. IUPAC: ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate.
Chemical Property Profile of Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate
Property Insights of Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate
The XLogP value of 3.1 indicates that Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.0 Ų, Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate has 1 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-phenyl-1H-pyrazole-5-carboxylate?
The CAS number of Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate is 179110-53-3.
What is the molecular formula of Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate?
The molecular formula of Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate is C12H11BrN2O2.
What is the molecular weight of Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate?
The molecular weight of Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate is 294.00 g/mol.
Where can I buy Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate?
You can request a quote for Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate 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-phenyl-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-bromo-3-phenyl-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.