RefChem:1059523
TL;DR: RefChem:1059523 (CAS 107887-98-9) is a chemical compound with molecular formula C36H24Cl2N4O4S2 and molecular weight 710.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(3-chlorophenyl)-4-[[2-[[(E)-[1-(3-chlorophenyl)-4,5-dioxo-2-sulfanylidenepyrrolidin-3-ylidene]-phenylmethyl]amino]ethylamino]-phenylmethylidene]-5-sulfanylidenepyrrolidine-2,3-dione
Also Known As: 2,3-Pyrrolidinedione, 4,4'-(1,2-ethanediylbis(imino(phenylmethylidyne)))bis(1-(3-chlorophenyl)-5-thioxo-, (4E)-1-(3-chlorophenyl)-4-[[2-[[(E)-[1-(3-chlorophenyl)-4,5-dioxo-2-sulfanylidenepyrrolidin-3-ylidene]-phenylmethyl]amino]ethylamino]-phenylmethylidene]-5-sulfanylidenepyrrolidine-2,3-dione, RefChem:1059523
| Molecular Formula | C36H24Cl2N4O4S2 |
|---|---|
| Molecular Weight | 710.06 g/mol |
| LogP | 6.1816 |
| Topological Polar Surface Area | 98.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 710.0616 |
| Heavy Atoms | 48 |
| Complexity | 1934.8032 |
Chemical Identifiers
| CAS Number | 107887-98-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=C/2\C(=S)N(C(=O)C2=O)C3=CC(=CC=C3)Cl)/NCCN/C(=C\4/C(=S)N(C(=O)C4=O)C5=CC(=CC=C5)Cl)/C6=CC=CC=C6 |
Product Overview
RefChem:1059523 (CAS 107887-98-9), with molecular formula C36H24Cl2N4O4S2 and molecular weight 710.06 g/mol. IUPAC: (4E)-1-(3-chlorophenyl)-4-[[2-[[(E)-[1-(3-chlorophenyl)-4,5-dioxo-2-sulfanylidenepyrrolidin-3-ylidene]-phenylmethyl]amino]ethylamino]-phenylmethylidene]-5-sulfanylidenepyrrolidine-2,3-dione.
Chemical Property Profile of RefChem:1059523
Property Insights of RefChem:1059523
The XLogP value of 6.1816 indicates that RefChem:1059523 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.82 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1059523. Following Lipinski's Rule of Five, RefChem:1059523 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1059523?
The CAS number of RefChem:1059523 is 107887-98-9.
What is the molecular formula of RefChem:1059523?
The molecular formula of RefChem:1059523 is C36H24Cl2N4O4S2.
What is the molecular weight of RefChem:1059523?
The molecular weight of RefChem:1059523 is 710.06 g/mol.
Where can I buy RefChem:1059523?
You can request a quote for RefChem:1059523 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1059523?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1059523 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.