Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate
TL;DR: Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate (CAS 175135-71-4) is a chemical compound with molecular formula C13H12F2N2O2 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate
Also Known As: Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate, Maybridge1_001828, Ethyl 1-(2,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxylate, 4-DIMETHYLAMINOPYRIDINEN-OXIDE, K-5344
| Molecular Formula | C13H12F2N2O2 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 2.63562 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.08667 |
| Heavy Atoms | 19 |
| Complexity | 623.10095 |
Chemical Identifiers
| CAS Number | 175135-71-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)F)F)C |
Product Overview
Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate (CAS 175135-71-4), with molecular formula C13H12F2N2O2 and molecular weight 266.09 g/mol. IUPAC: ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate.
Chemical Property Profile of Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate
Property Insights of Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate
The XLogP value of 2.63562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate 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 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate?
The CAS number of Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate is 175135-71-4.
What is the molecular formula of Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate?
The molecular formula of Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate is C13H12F2N2O2.
What is the molecular weight of Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate?
The molecular weight of Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate is 266.09 g/mol.
Where can I buy Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate?
You can request a quote for Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(2,4-difluorophenyl)-5-methylpyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.