ethyl 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate
TL;DR: ethyl 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate (CAS 1035371-14-2) is a chemical compound with molecular formula C12H10F2N2O2 and molecular weight 252.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2,4-difluorophenyl)-1H-pyrazole-5-carboxylate
Also Known As: ethyl 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate, J2.891.365F, Ethyl 5-[2,4-difluorophenyl]pyrazole-3-carboxylate, Ethyl 3-(2,4-difluorophenyl)-1H-pyrazole-5-carboxylate, Ethyl 5-(2,4-Difluorophenyl)-1H-pyrazole-3-carboxylate
| Molecular Formula | C12H10F2N2O2 |
|---|---|
| Molecular Weight | 252.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.07103 |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 1035371-14-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NN1)C2=C(C=C(C=C2)F)F |
| InChIKey | RDYNIFMEPCVCSA-UHFFFAOYSA-N |
Product Overview
ethyl 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate (CAS 1035371-14-2), with molecular formula C12H10F2N2O2 and molecular weight 252.07 g/mol. IUPAC: ethyl 3-(2,4-difluorophenyl)-1H-pyrazole-5-carboxylate.
Chemical Property Profile of ethyl 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate
Property Insights of ethyl 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, ethyl 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate has 1 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 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate?
The CAS number of ethyl 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate is 1035371-14-2.
What is the molecular formula of ethyl 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate?
The molecular formula of ethyl 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate is C12H10F2N2O2.
What is the molecular weight of ethyl 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate?
The molecular weight of ethyl 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate is 252.07 g/mol.
Where can I buy ethyl 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate?
You can request a quote for ethyl 3-(2,4-difluoro-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 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(2,4-difluoro-phenyl)-1H-pyrazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.