4J-536S
TL;DR: 4J-536S (CAS 400082-36-2) is a chemical compound with molecular formula C24H16ClF3O2S and molecular weight 460.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-[3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1-benzofuran-2-yl]methanone
Also Known As: 4J-536S, (4-chlorophenyl)[3-({[3-(trifluoromethyl)benzyl]sulfanyl}methyl)-1-benzofuran-2-yl]methanone, 2-(4-chlorobenzoyl)-3-[({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)methyl]-1-benzofuran, (4-chlorophenyl)-[3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1-benzofuran-2-yl]methanone, (4-chlorophenyl)-[3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]benzofuran-2-yl]methanone
| Molecular Formula | C24H16ClF3O2S |
|---|---|
| Molecular Weight | 460.05 g/mol |
| LogP | 7.7694 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.05118 |
| Heavy Atoms | 31 |
| Complexity | 1229.7922 |
Chemical Identifiers
| CAS Number | 400082-36-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)Cl)CSCC4=CC(=CC=C4)C(F)(F)F |
Product Overview
4J-536S (CAS 400082-36-2), with molecular formula C24H16ClF3O2S and molecular weight 460.05 g/mol. IUPAC: (4-chlorophenyl)-[3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1-benzofuran-2-yl]methanone.
Chemical Property Profile of 4J-536S
Property Insights of 4J-536S
The XLogP value of 7.7694 indicates that 4J-536S 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-536S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4J-536S 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-536S?
The CAS number of 4J-536S is 400082-36-2.
What is the molecular formula of 4J-536S?
The molecular formula of 4J-536S is C24H16ClF3O2S.
What is the molecular weight of 4J-536S?
The molecular weight of 4J-536S is 460.05 g/mol.
Where can I buy 4J-536S?
You can request a quote for 4J-536S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-536S?
Yes, KEHONG BIO provides custom synthesis services for 4J-536S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.