4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate
TL;DR: 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate (CAS 122945-88-4) is a chemical compound with molecular formula C21H23ClN6OS and molecular weight 442.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(quinolin-3-ylmethyl)-1H-pyrimidin-6-one;hydrochloride
Also Known As: 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate, 2-[(2-{[(5-Methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]-5-[(quinolin-3-yl)methyl]pyrimidin-4(3H)-one--hydrogen chloride (1/1), 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(quinolin-3-ylmethyl)-1H-pyrimidin-6-one hydrochloride, RefChem:283571
| Molecular Formula | C21H23ClN6OS |
|---|---|
| Molecular Weight | 442.13 g/mol |
| LogP | 3.70752 |
| Topological Polar Surface Area | 99.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.13425 |
| Heavy Atoms | 30 |
| Complexity | 1175.3455 |
Chemical Identifiers
| CAS Number | 122945-88-4 |
|---|---|
| SMILES | CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC4=CC=CC=C4N=C3.Cl |
Product Overview
4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate (CAS 122945-88-4), with molecular formula C21H23ClN6OS and molecular weight 442.13 g/mol. IUPAC: 2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-5-(quinolin-3-ylmethyl)-1H-pyrimidin-6-one;hydrochloride.
Chemical Property Profile of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate
Property Insights of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate
The XLogP value of 3.70752 indicates that 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate has 3 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-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate?
The CAS number of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate is 122945-88-4.
What is the molecular formula of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate?
The molecular formula of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate is C21H23ClN6OS.
What is the molecular weight of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate?
The molecular weight of 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate is 442.13 g/mol.
Where can I buy 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate?
You can request a quote for 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate 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-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(3-quinolinylmethyl)-, trihydrochloride, monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.