4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)-
TL;DR: 4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)- (CAS 54774-98-0) is a chemical compound with molecular formula C8H12N2OS and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-propylsulfanyl-1H-pyrimidin-6-one
Also Known As: 5-Methyl-2-(propylthio)pyrimidin-4(1H)-one, 4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)-, 5-Methyl-2-(propylsulfanyl)-4-pyrimidinol, 5-Methyl-2-(propylsulfanyl)-4-pyrimidinol #, 5-methyl-2-(propylthio)pyrimidin-4(3H)-one
| Molecular Formula | C8H12N2OS |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.06703 |
| Heavy Atoms | 12 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 54774-98-0 |
|---|---|
| SMILES | CCCSC1=NC=C(C(=O)N1)C |
| InChIKey | NHTAMNOBPJXCAB-UHFFFAOYSA-N |
Product Overview
4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)- (CAS 54774-98-0), with molecular formula C8H12N2OS and molecular weight 184.07 g/mol. IUPAC: 5-methyl-2-propylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)-
Property Insights of 4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)-. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)-. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)- has 1 hydrogen bond donor(s) and 3 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-methyl-2-(propylthio)-?
The CAS number of 4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)- is 54774-98-0.
What is the molecular formula of 4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)-?
The molecular formula of 4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)- is C8H12N2OS.
What is the molecular weight of 4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)-?
The molecular weight of 4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)- is 184.07 g/mol.
Where can I buy 4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)-?
You can request a quote for 4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)- 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-methyl-2-(propylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.