4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide
TL;DR: 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide (CAS 122945-89-5) is a chemical compound with molecular formula C18H21Br4N5OS and molecular weight 670.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(3-bromo-2-pyridinyl)methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one;trihydrobromide
Also Known As: 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide, 2-[(2-{[(3-Bromopyridin-2-yl)methyl]sulfanyl}ethyl)amino]-5-[(pyridin-4-yl)methyl]pyrimidin-4(3H)-one--hydrogen bromide (1/3), 2-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one trihydrobromide, RefChem:283563
| Molecular Formula | C18H21Br4N5OS |
|---|---|
| Molecular Weight | 670.82 g/mol |
| LogP | 4.9922 |
| Topological Polar Surface Area | 83.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 670.82 |
| Heavy Atoms | 29 |
| Complexity | 914.00824 |
Chemical Identifiers
| CAS Number | 122945-89-5 |
|---|---|
| SMILES | C1=CC(=C(N=C1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=NC=C3)Br.Br.Br.Br |
Product Overview
4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide (CAS 122945-89-5), with molecular formula C18H21Br4N5OS and molecular weight 670.82 g/mol. IUPAC: 2-[2-[(3-bromo-2-pyridinyl)methylsulfanyl]ethylamino]-5-(pyridin-4-ylmethyl)-1H-pyrimidin-6-one;trihydrobromide.
Chemical Property Profile of 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide
Property Insights of 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide
The XLogP value of 4.9922 indicates that 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide?
The CAS number of 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide is 122945-89-5.
What is the molecular formula of 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide?
The molecular formula of 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide is C18H21Br4N5OS.
What is the molecular weight of 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide?
The molecular weight of 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide is 670.82 g/mol.
Where can I buy 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide?
You can request a quote for 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide 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-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Pyrimidinone, 2-((2-(((3-bromo-2-pyridinyl)methyl)thio)ethyl)amino)-5-(4-pyridinylmethyl)-, trihydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.