4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride
TL;DR: 4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride (CAS 72830-38-7) is a chemical compound with molecular formula C20H25Cl2N5O3S and molecular weight 485.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one;dihydrochloride
Also Known As: 4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride, 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one dihydrochloride, 5-[(2,3-Dihydro-1,4-benzodioxin-6-yl)methyl]-2-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]pyrimidin-4(3H)-one--hydrogen chloride (1/2), RefChem:283589
| Molecular Formula | C20H25Cl2N5O3S |
|---|---|
| Molecular Weight | 485.11 g/mol |
| LogP | 3.35232 |
| Topological Polar Surface Area | 104.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.10553 |
| Heavy Atoms | 31 |
| Complexity | 1043.6499 |
Chemical Identifiers
| CAS Number | 72830-38-7 |
|---|---|
| SMILES | CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCCO4.Cl.Cl |
Product Overview
4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride (CAS 72830-38-7), with molecular formula C20H25Cl2N5O3S and molecular weight 485.11 g/mol. IUPAC: 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one;dihydrochloride.
Chemical Property Profile of 4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride
Property Insights of 4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride
The XLogP value of 3.35232 indicates that 4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride has 3 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-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride?
The CAS number of 4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride is 72830-38-7.
What is the molecular formula of 4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride?
The molecular formula of 4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride is C20H25Cl2N5O3S.
What is the molecular weight of 4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride?
The molecular weight of 4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride is 485.11 g/mol.
Where can I buy 4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride?
You can request a quote for 4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride 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-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Pyrimidinone, 5-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.