(E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one
TL;DR: (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one (CAS 586984-20-5) is a chemical compound with molecular formula C18H11ClN2O2S2 and molecular weight 386.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(2-chlorophenyl)methyl]-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
Also Known As: (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one, 3-[3-(2-Chloro-benzyl)-4-oxo-2-thioxo-thiazolidin-(5E)-ylidene]-1,3-dihydro-indol-2-one, (3E)-3-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one, (5E)-3-[(2-chlorophenyl)methyl]-5-(2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, 3-[(2-chlorophenyl)methyl]-5-(2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C18H11ClN2O2S2 |
|---|---|
| Molecular Weight | 386.00 g/mol |
| LogP | 3.04519 |
| Topological Polar Surface Area | 54.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.99506 |
| Heavy Atoms | 25 |
| Complexity | 1194.2705 |
Chemical Identifiers
| CAS Number | 586984-20-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C(=C(SC2=S)C3=C4C=CC=CC4=NC3=O)O)Cl |
Product Overview
(E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one (CAS 586984-20-5), with molecular formula C18H11ClN2O2S2 and molecular weight 386.00 g/mol. IUPAC: 3-[3-[(2-chlorophenyl)methyl]-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one.
Chemical Property Profile of (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one
Property Insights of (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one
The XLogP value of 3.04519 indicates that (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.59 Ų, (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one?
The CAS number of (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one is 586984-20-5.
What is the molecular formula of (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one?
The molecular formula of (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one is C18H11ClN2O2S2.
What is the molecular weight of (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one?
The molecular weight of (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one is 386.00 g/mol.
Where can I buy (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one?
You can request a quote for (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2-chlorobenzyl)-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.