![(3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one structure](/static/products/827/827002-06-2.png)
(3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one
TL;DR: (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one (CAS 827002-06-2) is a chemical compound with molecular formula C20H14N4O3S2 and molecular weight 422.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one
Also Known As: (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one, (E)-3-(1-(6-ethoxybenzo[d]thiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene)indolin-2-one, (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-sulfanyl-1,5-dihydro-4H-imidazol-4-ylidene]-1,3-dihydro-2H-indol-2-one, (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]-1H-indol-2-one, (3Z)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]-1H-indol-2-one
| Molecular Formula | C20H14N4O3S2 |
|---|---|
| Molecular Weight | 422.05 g/mol |
| LogP | 2.60769 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.05072 |
| Heavy Atoms | 29 |
| Complexity | 1479.6466 |
Chemical Identifiers
| CAS Number | 827002-06-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)N3C(=C(NC3=S)C4=C5C=CC=CC5=NC4=O)O |
Product Overview
(3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one (CAS 827002-06-2), with molecular formula C20H14N4O3S2 and molecular weight 422.05 g/mol. IUPAC: 3-[3-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-2-sulfanylidene-1H-imidazol-5-yl]indol-2-one.
Chemical Property Profile of (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one
Property Insights of (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one
The XLogP value of 2.60769 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one. Following Lipinski's Rule of Five, (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one has 2 hydrogen bond donor(s) and 6 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 (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one?
The CAS number of (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one is 827002-06-2.
What is the molecular formula of (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one?
The molecular formula of (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one is C20H14N4O3S2.
What is the molecular weight of (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one?
The molecular weight of (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one is 422.05 g/mol.
Where can I buy (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one?
You can request a quote for (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-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 (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-[1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxo-2-thioxoimidazolidin-4-ylidene]-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.