4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole
TL;DR: 4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole (CAS 387352-96-7) is a chemical compound with molecular formula C12H12ClFN2 and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole
Also Known As: 4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole, DITRIDECYLFUMARATE, Maybridge4_000881, chlorofluorobenzyldimethylpyrazole, 4-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole
| Molecular Formula | C12H12ClFN2 |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 3.40984 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.0673 |
| Heavy Atoms | 16 |
| Complexity | 479.98245 |
Chemical Identifiers
| CAS Number | 387352-96-7 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)CC2=C(C=CC=C2Cl)F |
Product Overview
4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole (CAS 387352-96-7), with molecular formula C12H12ClFN2 and molecular weight 238.07 g/mol. IUPAC: 4-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazole.
Chemical Property Profile of 4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole
Property Insights of 4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole
The XLogP value of 3.40984 indicates that 4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole has 1 hydrogen bond donor(s) and 1 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-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole?
The CAS number of 4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole is 387352-96-7.
What is the molecular formula of 4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole?
The molecular formula of 4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole is C12H12ClFN2.
What is the molecular weight of 4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole?
The molecular weight of 4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole is 238.07 g/mol.
Where can I buy 4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole?
You can request a quote for 4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.