3J-588S
TL;DR: 3J-588S (CAS 338411-44-2) is a chemical compound with molecular formula C22H14Cl2O2S and molecular weight 412.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-[3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-yl]methanone
Also Known As: 3J-588S, (4-chlorophenyl)(3-{[(4-chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-yl)methanone, 2-(4-chlorobenzoyl)-3-{[(4-chlorophenyl)sulfanyl]methyl}-1-benzofuran, (4-chlorophenyl)-[3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-yl]methanone, (4-Chlorophenyl)[3-[[(4-chlorophenyl)thio]methyl]-2-benzofuranyl]methanone
| Molecular Formula | C22H14Cl2O2S |
|---|---|
| Molecular Weight | 412.01 g/mol |
| LogP | 7.2629 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.00916 |
| Heavy Atoms | 27 |
| Complexity | 1099.583 |
Chemical Identifiers
| CAS Number | 338411-44-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)Cl)CSC4=CC=C(C=C4)Cl |
Product Overview
3J-588S (CAS 338411-44-2), with molecular formula C22H14Cl2O2S and molecular weight 412.01 g/mol. IUPAC: (4-chlorophenyl)-[3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-yl]methanone.
Chemical Property Profile of 3J-588S
Property Insights of 3J-588S
The XLogP value of 7.2629 indicates that 3J-588S 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-588S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3J-588S 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-588S?
The CAS number of 3J-588S is 338411-44-2.
What is the molecular formula of 3J-588S?
The molecular formula of 3J-588S is C22H14Cl2O2S.
What is the molecular weight of 3J-588S?
The molecular weight of 3J-588S is 412.01 g/mol.
Where can I buy 3J-588S?
You can request a quote for 3J-588S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3J-588S?
Yes, KEHONG BIO provides custom synthesis services for 3J-588S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.