3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one
TL;DR: 3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one (CAS 618075-22-2) is a chemical compound with molecular formula C18H17BrN2O2S2 and molecular weight 435.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one, (3Z)-3-(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-5-bromo-1-butyl-1,3-dihydro-2H-indol-2-one, (3Z)-5-bromo-1-butyl-3-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one, (5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one, 5-bromo-1-butyl-3-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-2-one
| Molecular Formula | C18H17BrN2O2S2 |
|---|---|
| Molecular Weight | 435.99 g/mol |
| LogP | 4.3532 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.9915 |
| Heavy Atoms | 25 |
| Complexity | 819.2941 |
Chemical Identifiers
| CAS Number | 618075-22-2 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC=C)/C1=O |
Product Overview
3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one (CAS 618075-22-2), with molecular formula C18H17BrN2O2S2 and molecular weight 435.99 g/mol. IUPAC: (5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one
Property Insights of 3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one
The XLogP value of 4.3532 indicates that 3-Allyl-5-(5-bromo-1-butyl-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 40.62 Ų, 3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-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 3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one?
The CAS number of 3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one is 618075-22-2.
What is the molecular formula of 3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one?
The molecular formula of 3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one is C18H17BrN2O2S2.
What is the molecular weight of 3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one?
The molecular weight of 3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one is 435.99 g/mol.
Where can I buy 3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one?
You can request a quote for 3-Allyl-5-(5-bromo-1-butyl-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 3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-5-(5-bromo-1-butyl-2-oxoindolin-3-ylidene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.