4(1H)-Pyrimidinone, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride
TL;DR: 4(1H)-Pyrimidinone, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride (CAS 72830-29-6) is a chemical compound with molecular formula C16H20Cl3N5OS2 and molecular weight 467.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(pyridin-3-ylmethyl)-2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one;trihydrochloride
Also Known As: 4(1H)-Pyrimidinone, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride, 5-(3-Pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-4(1H)-pyrimidinone 3HCl, 5-(pyridin-3-ylmethyl)-2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one trihydrochloride, 5-[(Pyridin-3-yl)methyl]-2-[(2-{[(1,3-thiazol-2-yl)methyl]sulfanyl}ethyl)amino]pyrimidin-4(3H)-one--hydrogen chloride (1/3), RefChem:283605
| Molecular Formula | C16H20Cl3N5OS2 |
|---|---|
| Molecular Weight | 467.02 g/mol |
| LogP | 3.8229 |
| Topological Polar Surface Area | 83.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.0175 |
| Heavy Atoms | 27 |
| Complexity | 818.43286 |
Chemical Identifiers
| CAS Number | 72830-29-6 |
|---|---|
| SMILES | C1=CC(=CN=C1)CC2=CN=C(NC2=O)NCCSCC3=NC=CS3.Cl.Cl.Cl |
Product Overview
4(1H)-Pyrimidinone, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride (CAS 72830-29-6), with molecular formula C16H20Cl3N5OS2 and molecular weight 467.02 g/mol. IUPAC: 5-(pyridin-3-ylmethyl)-2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethylamino]-1H-pyrimidin-6-one;trihydrochloride.
Chemical Property Profile of 4(1H)-Pyrimidinone, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride
Property Insights of 4(1H)-Pyrimidinone, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride
The XLogP value of 3.8229 indicates that 4(1H)-Pyrimidinone, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride 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, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride has 2 hydrogen bond donor(s) and 7 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, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride?
The CAS number of 4(1H)-Pyrimidinone, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride is 72830-29-6.
What is the molecular formula of 4(1H)-Pyrimidinone, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride?
The molecular formula of 4(1H)-Pyrimidinone, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride is C16H20Cl3N5OS2.
What is the molecular weight of 4(1H)-Pyrimidinone, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride?
The molecular weight of 4(1H)-Pyrimidinone, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride is 467.02 g/mol.
Where can I buy 4(1H)-Pyrimidinone, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride?
You can request a quote for 4(1H)-Pyrimidinone, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride 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, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Pyrimidinone, 5-(3-pyridinylmethyl)-2-((2-((2-thiazolylmethyl)thio)ethyl)amino)-, trihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.