![(E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one structure](/static/products/444/444098-80-0.png)
(E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one
TL;DR: (E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one (CAS 444098-80-0) is a chemical compound with molecular formula C18H13N3O5S and molecular weight 383.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Also Known As: (E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one, (2E)-2-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
| Molecular Formula | C18H13N3O5S |
|---|---|
| Molecular Weight | 383.06 g/mol |
| LogP | 2.4694 |
| Topological Polar Surface Area | 106.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.0576 |
| Heavy Atoms | 27 |
| Complexity | 1308.2666 |
Chemical Identifiers
| CAS Number | 444098-80-0 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/2\C(=O)N3C4=CC=CC=C4N=C3S2 |
Product Overview
(E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one (CAS 444098-80-0), with molecular formula C18H13N3O5S and molecular weight 383.06 g/mol. IUPAC: (2E)-2-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
Chemical Property Profile of (E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one
Property Insights of (E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one
The XLogP value of 2.4694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one. The TPSA of 106.97 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one. Following Lipinski's Rule of Five, (E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one has 1 hydrogen bond donor(s) and 7 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-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one?
The CAS number of (E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one is 444098-80-0.
What is the molecular formula of (E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one?
The molecular formula of (E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one is C18H13N3O5S.
What is the molecular weight of (E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one?
The molecular weight of (E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one is 383.06 g/mol.
Where can I buy (E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one?
You can request a quote for (E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)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-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)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.