![(3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one structure](/static/products/617/617694-94-7.png)
(3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
TL;DR: (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one (CAS 617694-94-7) is a chemical compound with molecular formula C29H26N2O4S2 and molecular weight 530.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one, (3Z)-3-(3-(2-(3,4-Dimethoxyphenyl)ethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one, (5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 644-246-2, RefChem:401648
| Molecular Formula | C29H26N2O4S2 |
|---|---|
| Molecular Weight | 530.13 g/mol |
| LogP | 5.37312 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.1334 |
| Heavy Atoms | 37 |
| Complexity | 1432.0741 |
Chemical Identifiers
| CAS Number | 617694-94-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=C/4\C(=O)N(C(=S)S4)CCC5=CC(=C(C=C5)OC)OC)/C2=O |
Product Overview
(3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one (CAS 617694-94-7), with molecular formula C29H26N2O4S2 and molecular weight 530.13 g/mol. IUPAC: (5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[1-[(4-methylphenyl)methyl]-2-oxoindol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
Property Insights of (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one
The XLogP value of 5.37312 indicates that (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one?
The CAS number of (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one is 617694-94-7.
What is the molecular formula of (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one?
The molecular formula of (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one is C29H26N2O4S2.
What is the molecular weight of (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one?
The molecular weight of (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one is 530.13 g/mol.
Where can I buy (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one?
You can request a quote for (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-(4-methylbenzyl)-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.