3J-589S
TL;DR: 3J-589S (CAS 338411-47-5) is a chemical compound with molecular formula C22H13Cl3O2S and molecular weight 445.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)-[3-[(2,4-dichlorophenyl)sulfanylmethyl]-1-benzofuran-2-yl]methanone
Also Known As: 3J-589S, (4-chlorophenyl)(3-{[(2,4-dichlorophenyl)sulfanyl]methyl}-1-benzofuran-2-yl)methanone, (4-chlorophenyl)-[3-[(2,4-dichlorophenyl)sulfanylmethyl]-1-benzofuran-2-yl]methanone, 2-(4-chlorobenzoyl)-3-{[(2,4-dichlorophenyl)sulfanyl]methyl}-1-benzofuran, (4-chlorophenyl)-[3-[(2,4-dichlorophenyl)sulfanylmethyl]benzofuran-2-yl]methanone
| Molecular Formula | C22H13Cl3O2S |
|---|---|
| Molecular Weight | 445.97 g/mol |
| LogP | 7.9163 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.97018 |
| Heavy Atoms | 28 |
| Complexity | 1166.3444 |
Chemical Identifiers
| CAS Number | 338411-47-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=C(C=C3)Cl)CSC4=C(C=C(C=C4)Cl)Cl |
Product Overview
3J-589S (CAS 338411-47-5), with molecular formula C22H13Cl3O2S and molecular weight 445.97 g/mol. IUPAC: (4-chlorophenyl)-[3-[(2,4-dichlorophenyl)sulfanylmethyl]-1-benzofuran-2-yl]methanone.
Chemical Property Profile of 3J-589S
Property Insights of 3J-589S
The XLogP value of 7.9163 indicates that 3J-589S 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-589S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3J-589S 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-589S?
The CAS number of 3J-589S is 338411-47-5.
What is the molecular formula of 3J-589S?
The molecular formula of 3J-589S is C22H13Cl3O2S.
What is the molecular weight of 3J-589S?
The molecular weight of 3J-589S is 445.97 g/mol.
Where can I buy 3J-589S?
You can request a quote for 3J-589S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3J-589S?
Yes, KEHONG BIO provides custom synthesis services for 3J-589S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.