![Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt structure](/static/products/6875/68758-82-7.webp)
Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt
TL;DR: Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt (CAS 68758-82-7) is a chemical compound with molecular formula C40H39N5O4S3 and molecular weight 749.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-4-methylpyrimido[1,2-a]benzimidazol-1-ium-1-yl]butane-1-sulfonate
Also Known As: Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt
| Molecular Formula | C40H39N5O4S3 |
|---|---|
| Molecular Weight | 749.22 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 749.21643 |
| Heavy Atoms | 52 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 68758-82-7 |
|---|---|
| SMILES | CCN1C(=CC=C2C(=O)N(C(=CC3=[N+](C4=NC5=CC=CC=C5N4C(=C3)C)CCCCS(=O)(=O)[O-])S2)CC)SC(=C1C6=CC=CC=C6)C7=CC=CC=C7 |
| InChIKey | RHXQESJHWBVUGY-UHFFFAOYSA-N |
Product Overview
Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt (CAS 68758-82-7), with molecular formula C40H39N5O4S3 and molecular weight 749.22 g/mol. IUPAC: 4-[2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-1,3-thiazol-2-ylidene)ethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]methyl]-4-methylpyrimido[1,2-a]benzimidazol-1-ium-1-yl]butane-1-sulfonate.
Chemical Property Profile of Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt
Property Insights of Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt
The XLogP value of 8.4 indicates that Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 161.0 Ų indicates high polarity, suggesting Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt?
The CAS number of Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt is 68758-82-7.
What is the molecular formula of Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt?
The molecular formula of Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt is C40H39N5O4S3.
What is the molecular weight of Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt?
The molecular weight of Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt is 749.22 g/mol.
Where can I buy Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt?
You can request a quote for Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for Pyrimido[1,2-a]benzimidazolium, 2-[[3-ethyl-5-[2-(3-ethyl-4,5-diphenyl-2(3H)-thiazolylidene)ethylidene]-4-oxo-2-thiazolidinylidene]methyl]-4-methyl-1-(4-sulfobutyl)-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.