4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride
TL;DR: 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride (CAS 116608-84-5) is a chemical compound with molecular formula C18H22Cl2FN5OS and molecular weight 445.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(4-fluorophenyl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one;dihydrochloride
Also Known As: 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride, 5-[(4-Fluorophenyl)methyl]-2-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]pyrimidin-4(3H)-one--hydrogen chloride (1/2), 5-[(4-fluorophenyl)methyl]-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one dihydrochloride
Technical Specifications
| Molecular Formula | C18H22Cl2FN5OS |
| Molecular Weight | 445.0906 g/mol |
| XLogP | 3.72022 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.0906 Da |
| Heavy Atoms | 28 |
| Complexity | 548.0 |
| SMILES | CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=C(C=C3)F.Cl.Cl |
| InChIKey | RKYZVEKEGOOKJH-UHFFFAOYSA-N |
Chemical Property Profile of 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride
Property Insights of 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride
The XLogP value of 3.72022 indicates that 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride?
The CAS number of 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride is 116608-84-5.
What is the molecular formula of 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride?
The molecular formula of 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride is C18H22Cl2FN5OS.
What is the molecular weight of 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride?
The molecular weight of 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride is 445.0906 g/mol.
Where can I buy 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride?
You can request a quote for 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride?
Yes, CoreyChem provides custom synthesis services for 4(1H)-Pyrimidinone, 5-((4-fluorophenyl)methyl)-2-((2-(((5-methyl-4H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.