4J-593S
TL;DR: 4J-593S (CAS 866017-29-0) is a chemical compound with molecular formula C24H17F3O4S and molecular weight 458.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-[3-[[3-(trifluoromethyl)phenyl]methylsulfonylmethyl]-1-benzofuran-2-yl]methanone
Also Known As: 4J-593S, phenyl[3-({[3-(trifluoromethyl)benzyl]sulfonyl}methyl)-1-benzofuran-2-yl]methanone, 2-benzoyl-3-({[3-(trifluoromethyl)phenyl]methanesulfonyl}methyl)-1-benzofuran, phenyl-[3-[[3-(trifluoromethyl)phenyl]methylsulfonylmethyl]-1-benzofuran-2-yl]methanone
| Molecular Formula | C24H17F3O4S |
|---|---|
| Molecular Weight | 458.08 g/mol |
| LogP | 5.7976 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.07996 |
| Heavy Atoms | 32 |
| Complexity | 1387.7942 |
Chemical Identifiers
| CAS Number | 866017-29-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)CS(=O)(=O)CC4=CC(=CC=C4)C(F)(F)F |
Product Overview
4J-593S (CAS 866017-29-0), with molecular formula C24H17F3O4S and molecular weight 458.08 g/mol. IUPAC: phenyl-[3-[[3-(trifluoromethyl)phenyl]methylsulfonylmethyl]-1-benzofuran-2-yl]methanone.
Chemical Property Profile of 4J-593S
Property Insights of 4J-593S
The XLogP value of 5.7976 indicates that 4J-593S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4J-593S. Following Lipinski's Rule of Five, 4J-593S 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 4J-593S?
The CAS number of 4J-593S is 866017-29-0.
What is the molecular formula of 4J-593S?
The molecular formula of 4J-593S is C24H17F3O4S.
What is the molecular weight of 4J-593S?
The molecular weight of 4J-593S is 458.08 g/mol.
Where can I buy 4J-593S?
You can request a quote for 4J-593S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-593S?
Yes, KEHONG BIO provides custom synthesis services for 4J-593S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.