5K-328S
TL;DR: 5K-328S (CAS 956262-56-9) is a chemical compound with molecular formula C25H18F4N2O3 and molecular weight 470.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl 3-(trifluoromethyl)benzoate
Also Known As: 5K-328S, [5-(4-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl 3-(trifluoromethyl)benzenecarboxylate, [5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl 3-(trifluoromethyl)benzoate, [5-(4-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl 3-(trifluoromethyl)benzoate, [5-(4-fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl3-(trifluoromethyl)benzoate
| Molecular Formula | C25H18F4N2O3 |
|---|---|
| Molecular Weight | 470.13 g/mol |
| LogP | 6.3943 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.12537 |
| Heavy Atoms | 34 |
| Complexity | 1300.2428 |
Chemical Identifiers
| CAS Number | 956262-56-9 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)COC(=O)C3=CC(=CC=C3)C(F)(F)F)OC4=CC=C(C=C4)F |
Product Overview
5K-328S (CAS 956262-56-9), with molecular formula C25H18F4N2O3 and molecular weight 470.13 g/mol. IUPAC: [5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 5K-328S
Property Insights of 5K-328S
The XLogP value of 6.3943 indicates that 5K-328S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, 5K-328S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5K-328S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5K-328S?
The CAS number of 5K-328S is 956262-56-9.
What is the molecular formula of 5K-328S?
The molecular formula of 5K-328S is C25H18F4N2O3.
What is the molecular weight of 5K-328S?
The molecular weight of 5K-328S is 470.13 g/mol.
Where can I buy 5K-328S?
You can request a quote for 5K-328S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-328S?
Yes, KEHONG BIO provides custom synthesis services for 5K-328S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.