![2-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one structure](/static/products/878/878993-69-2.png)
2-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one
TL;DR: 2-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one (CAS 878993-69-2) is a chemical compound with molecular formula C16H13N5OS and molecular weight 323.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimido[1,2-a]benzimidazol-4-one
Also Known As: ASN 14594020, 2-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one, 2-(((4-methylpyrimidin-2-yl)thio)methyl)benzo[4,5]imidazo[1,2-a]pyrimidin-4(1H)-one, 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimido[1,2-a]benzimidazol-4-one, 2-[(4-methylpyrimidin-2-ylthio)methyl]-1,5-dihydropyrimidino[1,2-a]benzimidazo l-4-one
| Molecular Formula | C16H13N5OS |
|---|---|
| Molecular Weight | 323.08 g/mol |
| LogP | 2.56652 |
| Topological Polar Surface Area | 75.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.08408 |
| Heavy Atoms | 23 |
| Complexity | 1068.8885 |
Chemical Identifiers
| CAS Number | 878993-69-2 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC2=CC(=O)N3C4=CC=CC=C4N=C3N2 |
Product Overview
2-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one (CAS 878993-69-2), with molecular formula C16H13N5OS and molecular weight 323.08 g/mol. IUPAC: 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimido[1,2-a]benzimidazol-4-one.
Chemical Property Profile of 2-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one
Property Insights of 2-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one
The XLogP value of 2.56652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one. The TPSA of 75.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one. Following Lipinski's Rule of Five, 2-{[(4-methylpyrimidin-2-yl)thio]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-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one?
The CAS number of 2-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one is 878993-69-2.
What is the molecular formula of 2-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one?
The molecular formula of 2-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one is C16H13N5OS.
What is the molecular weight of 2-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one?
The molecular weight of 2-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one is 323.08 g/mol.
Where can I buy 2-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one?
You can request a quote for 2-{[(4-methylpyrimidin-2-yl)thio]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-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(4-methylpyrimidin-2-yl)thio]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.