![(E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one structure](/static/products/3816/381696-91-9.webp)
(E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one
TL;DR: (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one (CAS 381696-91-9) is a chemical compound with molecular formula C20H12BrN3O2S and molecular weight 436.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Also Known As: (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one, (2E)-2-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one, (2E)-2-(1-allyl-5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one, (2E)-2-[5-bromo-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydro-3H-indol-3-ylidene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one, 2-(1-ALLYL-5-BROMO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDEN)[1,3]THIAZOLO[3,2-A][1,3]BENZIMIDAZOL-3(2H)-ONE
| Molecular Formula | C20H12BrN3O2S |
|---|---|
| Molecular Weight | 436.98 g/mol |
| LogP | 3.1222 |
| Topological Polar Surface Area | 54.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 436.98337 |
| Heavy Atoms | 27 |
| Complexity | 1385.7504 |
Chemical Identifiers
| CAS Number | 381696-91-9 |
|---|---|
| SMILES | C=CCN1C2=C(C=C(C=C2)Br)/C(=C\3/C(=O)N4C5=CC=CC=C5N=C4S3)/C1=O |
Product Overview
(E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one (CAS 381696-91-9), with molecular formula C20H12BrN3O2S and molecular weight 436.98 g/mol. IUPAC: (2E)-2-(5-bromo-2-oxo-1-prop-2-enylindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
Chemical Property Profile of (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one
Property Insights of (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one
The XLogP value of 3.1222 indicates that (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.68 Ų, (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-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 (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one?
The CAS number of (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one is 381696-91-9.
What is the molecular formula of (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one?
The molecular formula of (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one is C20H12BrN3O2S.
What is the molecular weight of (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one?
The molecular weight of (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one is 436.98 g/mol.
Where can I buy (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one?
You can request a quote for (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(1-allyl-5-bromo-2-oxoindolin-3-ylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.