4J-514S
TL;DR: 4J-514S (CAS 338423-91-9) is a chemical compound with molecular formula C23H15F3O3S and molecular weight 428.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-[3-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]-1-benzofuran-2-yl]methanone
Also Known As: 4J-514S, 2-benzoyl-3-{[3-(trifluoromethyl)benzenesulfinyl]methyl}-1-benzofuran, phenyl[3-({[3-(trifluoromethyl)phenyl]sulfinyl}methyl)-1-benzofuran-2-yl]methanone, phenyl-[3-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]-1-benzofuran-2-yl]methanone, Phenyl-[3-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]benzofuran-2-yl]methanone
| Molecular Formula | C23H15F3O3S |
|---|---|
| Molecular Weight | 428.07 g/mol |
| LogP | 5.9904 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.0694 |
| Heavy Atoms | 30 |
| Complexity | 1243.5308 |
Chemical Identifiers
| CAS Number | 338423-91-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3O2)CS(=O)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
4J-514S (CAS 338423-91-9), with molecular formula C23H15F3O3S and molecular weight 428.07 g/mol. IUPAC: phenyl-[3-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]-1-benzofuran-2-yl]methanone.
Chemical Property Profile of 4J-514S
Property Insights of 4J-514S
The XLogP value of 5.9904 indicates that 4J-514S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.28 Ų, 4J-514S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4J-514S 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-514S?
The CAS number of 4J-514S is 338423-91-9.
What is the molecular formula of 4J-514S?
The molecular formula of 4J-514S is C23H15F3O3S.
What is the molecular weight of 4J-514S?
The molecular weight of 4J-514S is 428.07 g/mol.
Where can I buy 4J-514S?
You can request a quote for 4J-514S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-514S?
Yes, KEHONG BIO provides custom synthesis services for 4J-514S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.