![2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one structure](/static/products/7218/721891-12-9.webp)
2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one
TL;DR: 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one (CAS 721891-12-9) is a chemical compound with molecular formula C18H12N4OS2 and molecular weight 364.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrimido[1,2-a]benzimidazol-4-one
Also Known As: 2-((Benzo[d]thiazol-2-ylthio)methyl)benzo[4,5]imidazo[1,2-a]pyrimidin-4(1H)-one, 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one, 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one, 2-[(1,3-benzothiazol-2-ylsulfanyl)methyl]pyrimido[1,2-a]benzimidazol-4-ol, 2-((Benzo[d]thiazol-2-ylthio)methyl)benzo[4,5]imidazo[1,2-a]pyrimidin-4(10H)-one
| Molecular Formula | C18H12N4OS2 |
|---|---|
| Molecular Weight | 364.05 g/mol |
| LogP | 4.0778 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.04526 |
| Heavy Atoms | 25 |
| Complexity | 1251.7186 |
Chemical Identifiers
| CAS Number | 721891-12-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C3N2C(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4 |
Product Overview
2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one (CAS 721891-12-9), with molecular formula C18H12N4OS2 and molecular weight 364.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrimido[1,2-a]benzimidazol-4-one.
Chemical Property Profile of 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one
Property Insights of 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one
The XLogP value of 4.0778 indicates that 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one. Following Lipinski's Rule of Five, 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one has 1 hydrogen bond donor(s) and 5 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 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one?
The CAS number of 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one is 721891-12-9.
What is the molecular formula of 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one?
The molecular formula of 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one is C18H12N4OS2.
What is the molecular weight of 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one?
The molecular weight of 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one is 364.05 g/mol.
Where can I buy 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one?
You can request a quote for 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,3-benzothiazol-2-ylthio)methyl]pyrimido[1,2-a]benzimidazol-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.