4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)-
TL;DR: 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)- (CAS 85643-17-0) is a chemical compound with molecular formula C19H21N5O4S and molecular weight 415.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethylamino]-1H-pyrimidin-6-one
Also Known As: 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)-, 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethylamino]-1H-pyrimidin-6-one, 5-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)pyrimidin-4(1H)-one, 4(1H)-Pyrimidinone,5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino), 5-(1,3-BENZODIOXOL-5-YLMETHYL)-2-((2-(((5-METHYL-1H-IMIDAZOL-4-YL)METHYL)SULFINYL)ETHYL)AMINO) -4-1H- PYRIMIDINONE
| Molecular Formula | C19H21N5O4S |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.13144 |
| Heavy Atoms | 29 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 85643-17-0 |
|---|---|
| SMILES | CC1=C(N=CN1)CS(=O)CCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCO4 |
| InChIKey | POKJRPCZWSGGCS-UHFFFAOYSA-N |
Product Overview
4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)- (CAS 85643-17-0), with molecular formula C19H21N5O4S and molecular weight 415.13 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfinyl]ethylamino]-1H-pyrimidin-6-one.
Chemical Property Profile of 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)-
Property Insights of 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)-. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)-. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)- 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-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)-?
The CAS number of 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)- is 85643-17-0.
What is the molecular formula of 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)-?
The molecular formula of 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)- is C19H21N5O4S.
What is the molecular weight of 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)-?
The molecular weight of 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)- is 415.13 g/mol.
Where can I buy 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)-?
You can request a quote for 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)- 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-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)sulfinyl)ethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.