4J-523S
TL;DR: 4J-523S (CAS 866017-28-9) is a chemical compound with molecular formula C24H17F3O2S and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-[3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1-benzofuran-2-yl]methanone
Also Known As: 4J-523S, phenyl[3-({[3-(trifluoromethyl)benzyl]sulfanyl}methyl)-1-benzofuran-2-yl]methanone, 2-benzoyl-3-[({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)methyl]-1-benzofuran, phenyl-[3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1-benzofuran-2-yl]methanone, Phenyl-[3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]benzofuran-2-yl]methanone
| Molecular Formula | C24H17F3O2S |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 7.116 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.09015 |
| Heavy Atoms | 30 |
| Complexity | 1180.008 |
Chemical Identifiers
| CAS Number | 866017-28-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC(=CC=C4)C(F)(F)F |
Product Overview
4J-523S (CAS 866017-28-9), with molecular formula C24H17F3O2S and molecular weight 426.09 g/mol. IUPAC: phenyl-[3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1-benzofuran-2-yl]methanone.
Chemical Property Profile of 4J-523S
Property Insights of 4J-523S
The XLogP value of 7.116 indicates that 4J-523S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 4J-523S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4J-523S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4J-523S?
The CAS number of 4J-523S is 866017-28-9.
What is the molecular formula of 4J-523S?
The molecular formula of 4J-523S is C24H17F3O2S.
What is the molecular weight of 4J-523S?
The molecular weight of 4J-523S is 426.09 g/mol.
Where can I buy 4J-523S?
You can request a quote for 4J-523S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-523S?
Yes, KEHONG BIO provides custom synthesis services for 4J-523S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.