3J-593S
TL;DR: 3J-593S (CAS 338411-53-3) is a chemical compound with molecular formula C23H14ClF3O4S and molecular weight 478.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-[3-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-1-benzofuran-2-yl]methanone
Also Known As: 3J-593S, (4-chlorophenyl)[3-({[3-(trifluoromethyl)phenyl]sulfonyl}methyl)-1-benzofuran-2-yl]methanone, (4-chlorophenyl)-[3-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-1-benzofuran-2-yl]methanone, 2-(4-chlorobenzoyl)-3-{[3-(trifluoromethyl)benzenesulfonyl]methyl}-1-benzofuran, (4-chlorophenyl)-[3-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]benzofuran-2-yl]methanone
| Molecular Formula | C23H14ClF3O4S |
|---|---|
| Molecular Weight | 478.03 g/mol |
| LogP | 6.3099 |
| Topological Polar Surface Area | 64.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.02533 |
| Heavy Atoms | 32 |
| Complexity | 1421.9064 |
Chemical Identifiers
| CAS Number | 338411-53-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)Cl)CS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
3J-593S (CAS 338411-53-3), with molecular formula C23H14ClF3O4S and molecular weight 478.03 g/mol. IUPAC: (4-chlorophenyl)-[3-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-1-benzofuran-2-yl]methanone.
Chemical Property Profile of 3J-593S
Property Insights of 3J-593S
The XLogP value of 6.3099 indicates that 3J-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 3J-593S. Following Lipinski's Rule of Five, 3J-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 3J-593S?
The CAS number of 3J-593S is 338411-53-3.
What is the molecular formula of 3J-593S?
The molecular formula of 3J-593S is C23H14ClF3O4S.
What is the molecular weight of 3J-593S?
The molecular weight of 3J-593S is 478.03 g/mol.
Where can I buy 3J-593S?
You can request a quote for 3J-593S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3J-593S?
Yes, KEHONG BIO provides custom synthesis services for 3J-593S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.