6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one
TL;DR: 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one (CAS 586998-05-2) is a chemical compound with molecular formula C13H10N2O4S and molecular weight 290.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-methylsulfanyl-5-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidin-6-one
Also Known As: 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one, 4-hydroxy-2-methylsulfanyl-5-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidin-6-one
| Molecular Formula | C13H10N2O4S |
|---|---|
| Molecular Weight | 290.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.03613 |
| Heavy Atoms | 20 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 586998-05-2 |
|---|---|
| SMILES | CSC1=NC(=C(C(=O)N1)C2C3=CC=CC=C3C(=O)O2)O |
| InChIKey | VMXIYBJLTUEBGZ-UHFFFAOYSA-N |
Product Overview
6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one (CAS 586998-05-2), with molecular formula C13H10N2O4S and molecular weight 290.04 g/mol. IUPAC: 4-hydroxy-2-methylsulfanyl-5-(3-oxo-1H-2-benzofuran-1-yl)-1H-pyrimidin-6-one.
Chemical Property Profile of 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one
Property Insights of 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one has 2 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 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one?
The CAS number of 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one is 586998-05-2.
What is the molecular formula of 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one?
The molecular formula of 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one is C13H10N2O4S.
What is the molecular weight of 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one?
The molecular weight of 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one is 290.04 g/mol.
Where can I buy 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one?
You can request a quote for 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-hydroxy-2-(methylthio)-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.