3J-590S
TL;DR: 3J-590S (CAS 338411-49-7) is a chemical compound with molecular formula C23H14ClF3O2S and molecular weight 446.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-[3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1-benzofuran-2-yl]methanone
Also Known As: 3J-590S, (4-chlorophenyl)[3-({[3-(trifluoromethyl)phenyl]sulfanyl}methyl)-1-benzofuran-2-yl]methanone, (4-chlorophenyl)-[3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1-benzofuran-2-yl]methanone, 2-(4-chlorobenzoyl)-3-({[3-(trifluoromethyl)phenyl]sulfanyl}methyl)-1-benzofuran, (4-chlorophenyl)-[3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]benzofuran-2-yl]methanone
| Molecular Formula | C23H14ClF3O2S |
|---|---|
| Molecular Weight | 446.04 g/mol |
| LogP | 7.6283 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.03552 |
| Heavy Atoms | 30 |
| Complexity | 1213.3308 |
Chemical Identifiers
| CAS Number | 338411-49-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)Cl)CSC4=CC=CC(=C4)C(F)(F)F |
Product Overview
3J-590S (CAS 338411-49-7), with molecular formula C23H14ClF3O2S and molecular weight 446.04 g/mol. IUPAC: (4-chlorophenyl)-[3-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]-1-benzofuran-2-yl]methanone.
Chemical Property Profile of 3J-590S
Property Insights of 3J-590S
The XLogP value of 7.6283 indicates that 3J-590S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 3J-590S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3J-590S 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 3J-590S?
The CAS number of 3J-590S is 338411-49-7.
What is the molecular formula of 3J-590S?
The molecular formula of 3J-590S is C23H14ClF3O2S.
What is the molecular weight of 3J-590S?
The molecular weight of 3J-590S is 446.04 g/mol.
Where can I buy 3J-590S?
You can request a quote for 3J-590S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3J-590S?
Yes, KEHONG BIO provides custom synthesis services for 3J-590S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.