4J-502S
TL;DR: 4J-502S (CAS 338423-80-6) is a chemical compound with molecular formula C23H15F3O2S and molecular weight 412.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-[3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1-benzofuran-2-yl]methanone
Also Known As: 4J-502S, phenyl[3-({[3-(trifluoromethyl)phenyl]sulfanyl}methyl)-1-benzofuran-2-yl]methanone, phenyl-[3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1-benzofuran-2-yl]methanone, 2-benzoyl-3-({[3-(trifluoromethyl)phenyl]sulfanyl}methyl)-1-benzofuran, Phenyl-[3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]benzofuran-2-yl]methanone
| Molecular Formula | C23H15F3O2S |
|---|---|
| Molecular Weight | 412.07 g/mol |
| LogP | 6.9749 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0745 |
| Heavy Atoms | 29 |
| Complexity | 1163.6854 |
Chemical Identifiers
| CAS Number | 338423-80-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)CSC4=CC=CC(=C4)C(F)(F)F |
Product Overview
4J-502S (CAS 338423-80-6), with molecular formula C23H15F3O2S and molecular weight 412.07 g/mol. IUPAC: phenyl-[3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1-benzofuran-2-yl]methanone.
Chemical Property Profile of 4J-502S
Property Insights of 4J-502S
The XLogP value of 6.9749 indicates that 4J-502S 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-502S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4J-502S 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-502S?
The CAS number of 4J-502S is 338423-80-6.
What is the molecular formula of 4J-502S?
The molecular formula of 4J-502S is C23H15F3O2S.
What is the molecular weight of 4J-502S?
The molecular weight of 4J-502S is 412.07 g/mol.
Where can I buy 4J-502S?
You can request a quote for 4J-502S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-502S?
Yes, KEHONG BIO provides custom synthesis services for 4J-502S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.