4K-621S
TL;DR: 4K-621S (CAS 318248-50-9) is a chemical compound with molecular formula C19H16ClF3N2O and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1-methyl-3-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]pyrazole
Also Known As: 4K-621S, (5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl 3-(trifluoromethyl)benzyl ether, 5-chloro-1-methyl-3-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]pyrazole, 5-chloro-1-methyl-3-phenyl-4-({[3-(trifluoromethyl)phenyl]methoxy}methyl)-1H-pyrazole
| Molecular Formula | C19H16ClF3N2O |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | 5.4761 |
| Topological Polar Surface Area | 27.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.09033 |
| Heavy Atoms | 26 |
| Complexity | 891.54504 |
Chemical Identifiers
| CAS Number | 318248-50-9 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)COCC3=CC(=CC=C3)C(F)(F)F)Cl |
Product Overview
4K-621S (CAS 318248-50-9), with molecular formula C19H16ClF3N2O and molecular weight 380.09 g/mol. IUPAC: 5-chloro-1-methyl-3-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxymethyl]pyrazole.
Chemical Property Profile of 4K-621S
Property Insights of 4K-621S
The XLogP value of 5.4761 indicates that 4K-621S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.05 Ų, 4K-621S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4K-621S has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4K-621S?
The CAS number of 4K-621S is 318248-50-9.
What is the molecular formula of 4K-621S?
The molecular formula of 4K-621S is C19H16ClF3N2O.
What is the molecular weight of 4K-621S?
The molecular weight of 4K-621S is 380.09 g/mol.
Where can I buy 4K-621S?
You can request a quote for 4K-621S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4K-621S?
Yes, KEHONG BIO provides custom synthesis services for 4K-621S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.