![(E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one structure](/static/products/445/445406-88-2.png)
(E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one
TL;DR: (E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one (CAS 445406-88-2) is a chemical compound with molecular formula C29H22FN3O2S and molecular weight 495.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[[1-[4-[(2-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Also Known As: (E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one, (2E)-2-[[1-[4-[(2-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
| Molecular Formula | C29H22FN3O2S |
|---|---|
| Molecular Weight | 495.14 g/mol |
| LogP | 5.58254 |
| Topological Polar Surface Area | 48.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.14166 |
| Heavy Atoms | 36 |
| Complexity | 1847.9517 |
Chemical Identifiers
| CAS Number | 445406-88-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C)/C=C/4\C(=O)N5C6=CC=CC=C6N=C5S4 |
Product Overview
(E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one (CAS 445406-88-2), with molecular formula C29H22FN3O2S and molecular weight 495.14 g/mol. IUPAC: (2E)-2-[[1-[4-[(2-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
Chemical Property Profile of (E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one
Property Insights of (E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one
The XLogP value of 5.58254 indicates that (E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)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 48.53 Ų, (E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)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-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one?
The CAS number of (E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one is 445406-88-2.
What is the molecular formula of (E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one?
The molecular formula of (E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one is C29H22FN3O2S.
What is the molecular weight of (E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one?
The molecular weight of (E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one is 495.14 g/mol.
Where can I buy (E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one?
You can request a quote for (E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)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-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((1-(4-((2-fluorobenzyl)oxy)phenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)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.