5K-355S
TL;DR: 5K-355S (CAS 318289-46-2) is a chemical compound with molecular formula C25H17F5N2O3 and molecular weight 488.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methyl 2,6-difluorobenzoate
Also Known As: 5K-355S, [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methyl 2,6-difluorobenzoate, {1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl 2,6-difluorobenzenecarboxylate, {1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl 2,6-difluorobenzoate, {1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl}methyl2,6-difluorobenzoate
| Molecular Formula | C25H17F5N2O3 |
|---|---|
| Molecular Weight | 488.12 g/mol |
| LogP | 6.5334 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.11594 |
| Heavy Atoms | 35 |
| Complexity | 1347.2776 |
Chemical Identifiers
| CAS Number | 318289-46-2 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C2=CC=CC=C2)COC(=O)C3=C(C=CC=C3F)F)OC4=CC=CC(=C4)C(F)(F)F |
Product Overview
5K-355S (CAS 318289-46-2), with molecular formula C25H17F5N2O3 and molecular weight 488.12 g/mol. IUPAC: [1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenoxy]pyrazol-4-yl]methyl 2,6-difluorobenzoate.
Chemical Property Profile of 5K-355S
Property Insights of 5K-355S
The XLogP value of 6.5334 indicates that 5K-355S 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-355S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5K-355S 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-355S?
The CAS number of 5K-355S is 318289-46-2.
What is the molecular formula of 5K-355S?
The molecular formula of 5K-355S is C25H17F5N2O3.
What is the molecular weight of 5K-355S?
The molecular weight of 5K-355S is 488.12 g/mol.
Where can I buy 5K-355S?
You can request a quote for 5K-355S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-355S?
Yes, KEHONG BIO provides custom synthesis services for 5K-355S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.