(4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate
TL;DR: (4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate (CAS 648408-75-7) is a chemical compound with molecular formula C11H8ClFN2O2 and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate
Also Known As: 4-fluorophenyl 5-chloro-1-methyl-1h-pyrazole-3-carboxylate, (4-fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate
| Molecular Formula | C11H8ClFN2O2 |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 2.4318 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.02583 |
| Heavy Atoms | 17 |
| Complexity | 531.5991 |
Chemical Identifiers
| CAS Number | 648408-75-7 |
|---|---|
| SMILES | CN1C(=CC(=N1)C(=O)OC2=CC=C(C=C2)F)Cl |
Product Overview
(4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate (CAS 648408-75-7), with molecular formula C11H8ClFN2O2 and molecular weight 254.03 g/mol. IUPAC: (4-fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate.
Chemical Property Profile of (4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate
Property Insights of (4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate
The XLogP value of 2.4318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate. With a topological polar surface area (TPSA) of 44.12 Ų, (4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-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 (4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate?
The CAS number of (4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate is 648408-75-7.
What is the molecular formula of (4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate?
The molecular formula of (4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate is C11H8ClFN2O2.
What is the molecular weight of (4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate?
The molecular weight of (4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate is 254.03 g/mol.
Where can I buy (4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate?
You can request a quote for (4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-Fluorophenyl) 5-chloro-1-methylpyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.