dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate
TL;DR: dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate (CAS 358723-11-2) is a chemical compound with molecular formula C13H11FN2O4 and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(4-fluorophenyl)pyrazole-3,4-dicarboxylate
Also Known As: dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate, J1.583.257F, Dimethyl 1-(4-fluorophenyl)pyrazole-3,4-dicarboxylate, 3,4-dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate, 1-(4-Fluorophenyl)-1H-pyrazole-3,4-dicarboxylic acid dimethyl ester
| Molecular Formula | C13H11FN2O4 |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 1.5846 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.07028 |
| Heavy Atoms | 20 |
| Complexity | 615.3908 |
Chemical Identifiers
| CAS Number | 358723-11-2 |
|---|---|
| SMILES | COC(=O)C1=CN(N=C1C(=O)OC)C2=CC=C(C=C2)F |
Product Overview
dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate (CAS 358723-11-2), with molecular formula C13H11FN2O4 and molecular weight 278.07 g/mol. IUPAC: dimethyl 1-(4-fluorophenyl)pyrazole-3,4-dicarboxylate.
Chemical Property Profile of dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate
Property Insights of dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate
The XLogP value of 1.5846 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate. The TPSA of 70.42 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate has 0 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 dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate?
The CAS number of dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate is 358723-11-2.
What is the molecular formula of dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate?
The molecular formula of dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate is C13H11FN2O4.
What is the molecular weight of dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate?
The molecular weight of dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate is 278.07 g/mol.
Where can I buy dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate?
You can request a quote for dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 1-(4-fluorophenyl)-1H-pyrazole-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.