4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)-
TL;DR: 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)- (CAS 108612-68-6) is a chemical compound with molecular formula C25H28N6OS and molecular weight 460.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methyl-[1-[1-[(4-methylsulfanylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one
Also Known As: 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)-, 2-[methyl-[1-[1-[(4-methylsulfanylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one, 2-{Methyl[1-(1-{[4-(methylsulfanyl)phenyl]methyl}-1H-1,3-benzimidazol-2-yl)piperidin-4-yl]amino}pyrimidin-4(3H)-one, RefChem:283582
| Molecular Formula | C25H28N6OS |
|---|---|
| Molecular Weight | 460.20 g/mol |
| LogP | 3.995 |
| Topological Polar Surface Area | 70.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.20453 |
| Heavy Atoms | 33 |
| Complexity | 1290.2535 |
Chemical Identifiers
| CAS Number | 108612-68-6 |
|---|---|
| SMILES | CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)SC)C5=NC=CC(=O)N5 |
Product Overview
4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)- (CAS 108612-68-6), with molecular formula C25H28N6OS and molecular weight 460.20 g/mol. IUPAC: 2-[methyl-[1-[1-[(4-methylsulfanylphenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]amino]-1H-pyrimidin-6-one.
Chemical Property Profile of 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)-
Property Insights of 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)-
The XLogP value of 3.995 indicates that 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)-. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)- has 1 hydrogen bond donor(s) and 6 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 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)-?
The CAS number of 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)- is 108612-68-6.
What is the molecular formula of 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)-?
The molecular formula of 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)- is C25H28N6OS.
What is the molecular weight of 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)-?
The molecular weight of 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)- is 460.20 g/mol.
Where can I buy 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)-?
You can request a quote for 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Pyrimidinone, 2-(methyl(1-(1-((4-(methylthio)phenyl)methyl)-1H-benzimidazol-2-yl)-4-piperidinyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.