4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)-
TL;DR: 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)- (CAS 80306-56-5) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one
Also Known As: 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)-, 3-(2-Methoxyphenyl)-2-(methylthio)-4(3H)-pyrimidinone, 3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one, 3-(2-Methoxyphenyl)-2-(methylsulfanyl)pyrimidin-4(3H)-one, BRN 4692570
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 80306-56-5 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=O)C=CN=C2SC |
| InChIKey | IGFZWXVHQZAPRW-UHFFFAOYSA-N |
Product Overview
4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)- (CAS 80306-56-5), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: 3-(2-methoxyphenyl)-2-methylsulfanylpyrimidin-4-one.
Chemical Property Profile of 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)-
Property Insights of 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)-. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)-. Following Lipinski's Rule of Five, 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)- has 0 hydrogen bond donor(s) and 4 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(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)-?
The CAS number of 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)- is 80306-56-5.
What is the molecular formula of 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)-?
The molecular formula of 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)- is C12H12N2O2S.
What is the molecular weight of 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)-?
The molecular weight of 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)- is 248.06 g/mol.
Where can I buy 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)-?
You can request a quote for 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 4(3H)-Pyrimidinone, 3-(2-methoxyphenyl)-2-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.