![3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole structure](/static/products/4514/451485-60-2.webp)
3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole
TL;DR: 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole (CAS 451485-60-2) is a chemical compound with molecular formula C16H12ClFN2O and molecular weight 302.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1H-pyrazole
Also Known As: 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole, chlorofluorobenzyloxyphenylpyrazole, 3-(3-((2-Chloro-6-fluorobenzyl)oxy)phenyl)-1H-pyrazole, 3872AE, 3-(3-[(2-CHLORO-6-FLUOROBENZYL)OXY]PHENYL)-1H-PYRAZOLE
| Molecular Formula | C16H12ClFN2O |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | 4.4482 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.06223 |
| Heavy Atoms | 21 |
| Complexity | 723.5427 |
Chemical Identifiers
| CAS Number | 451485-60-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCC2=C(C=CC=C2Cl)F)C3=CC=NN3 |
Product Overview
3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole (CAS 451485-60-2), with molecular formula C16H12ClFN2O and molecular weight 302.06 g/mol. IUPAC: 5-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-1H-pyrazole.
Chemical Property Profile of 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole
Property Insights of 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole
The XLogP value of 4.4482 indicates that 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.91 Ų, 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole has 1 hydrogen bond donor(s) and 2 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 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole?
The CAS number of 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole is 451485-60-2.
What is the molecular formula of 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole?
The molecular formula of 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole is C16H12ClFN2O.
What is the molecular weight of 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole?
The molecular weight of 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole is 302.06 g/mol.
Where can I buy 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole?
You can request a quote for 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-{3-[(2-Chloro-6-fluorobenzyl)oxy]phenyl}-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.