2F-417S
TL;DR: 2F-417S (CAS 321533-90-8) is a chemical compound with molecular formula C13H10ClF3N2OS and molecular weight 334.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
Also Known As: 5-[(2-Chlorobenzyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde, 5-((2-Chlorobenzyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde, 5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde, 5-(2-Chlorobenzylthio)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxaldehyde, chlorobenzylsulfanylmethyltrifluoromethylpyrazolecarbaldehyde
| Molecular Formula | C13H10ClF3N2OS |
|---|---|
| Molecular Weight | 334.02 g/mol |
| LogP | 4.1971 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.01544 |
| Heavy Atoms | 21 |
| Complexity | 669.9214 |
Chemical Identifiers
| CAS Number | 321533-90-8 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C=O)SCC2=CC=CC=C2Cl |
Product Overview
2F-417S (CAS 321533-90-8), with molecular formula C13H10ClF3N2OS and molecular weight 334.02 g/mol. IUPAC: 5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde.
Chemical Property Profile of 2F-417S
Property Insights of 2F-417S
The XLogP value of 4.1971 indicates that 2F-417S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 2F-417S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2F-417S 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 2F-417S?
The CAS number of 2F-417S is 321533-90-8.
What is the molecular formula of 2F-417S?
The molecular formula of 2F-417S is C13H10ClF3N2OS.
What is the molecular weight of 2F-417S?
The molecular weight of 2F-417S is 334.02 g/mol.
Where can I buy 2F-417S?
You can request a quote for 2F-417S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2F-417S?
Yes, KEHONG BIO provides custom synthesis services for 2F-417S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.