![7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one structure](/static/products/6945/694521-69-2.webp)
7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one
TL;DR: 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one (CAS 694521-69-2) is a chemical compound with molecular formula C16H13BrN2O2S2 and molecular weight 407.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(7-bromo-1,5-dimethyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one, 5-(7-bromo-1,5-dimethyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C16H13BrN2O2S2 |
|---|---|
| Molecular Weight | 407.96 g/mol |
| LogP | 3.49132 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 407.96017 |
| Heavy Atoms | 23 |
| Complexity | 816.5434 |
Chemical Identifiers
| CAS Number | 694521-69-2 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)Br)N(C(=O)C2=C3C(=O)N(C(=S)S3)CC=C)C |
Product Overview
7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one (CAS 694521-69-2), with molecular formula C16H13BrN2O2S2 and molecular weight 407.96 g/mol. IUPAC: 5-(7-bromo-1,5-dimethyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one
Property Insights of 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one
The XLogP value of 3.49132 indicates that 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-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 40.62 Ų, 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one has 0 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 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one?
The CAS number of 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one is 694521-69-2.
What is the molecular formula of 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one?
The molecular formula of 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one is C16H13BrN2O2S2.
What is the molecular weight of 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one?
The molecular weight of 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one is 407.96 g/mol.
Where can I buy 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one?
You can request a quote for 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-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 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromo-1,3-dihydro-1,5-dimethyl-3-[4-oxo-3-(2-propen-1-yl)-2-thioxo-5-thiazolidinylidene]-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.