5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-one
TL;DR: 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-one (CAS 617697-86-6) is a chemical compound with molecular formula C23H21BrN2O4S2 and molecular weight 532.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-one, (3Z)-5-bromo-3-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}-1-ethyl-1,3-dihydro-2H-indol-2-one, (3Z)-5-BROMO-3-(3-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-1-ETHYL-1,3-DIHYDRO-2H-INDOL-2-ONE, (5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one, 638-571-9
| Molecular Formula | C23H21BrN2O4S2 |
|---|---|
| Molecular Weight | 532.01 g/mol |
| LogP | 4.6469 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.01263 |
| Heavy Atoms | 32 |
| Complexity | 1164.6805 |
Chemical Identifiers
| CAS Number | 617697-86-6 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC)/C1=O |
Product Overview
5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-one (CAS 617697-86-6), with molecular formula C23H21BrN2O4S2 and molecular weight 532.01 g/mol. IUPAC: (5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-one
Property Insights of 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-one
The XLogP value of 4.6469 indicates that 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-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 59.08 Ų, 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-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 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-one?
The CAS number of 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-one is 617697-86-6.
What is the molecular formula of 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-one?
The molecular formula of 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-one is C23H21BrN2O4S2.
What is the molecular weight of 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-one?
The molecular weight of 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-one is 532.01 g/mol.
Where can I buy 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-one?
You can request a quote for 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-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 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-Bromo-1-ethyl-2-oxoindolin-3-ylidene)-3-(3,4-dimethoxyphenethyl)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.