4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl-
TL;DR: 4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl- (CAS 54845-20-4) is a chemical compound with molecular formula C9H14N2OS and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-5-methyl-1H-pyrimidin-6-one
Also Known As: 2-Butylthio-5-methylpyrimidin-4(1H)-one, 2-(Butylsulfanyl)-5-methyl-4-pyrimidinol, 4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl-, 2-(Butylsulfanyl)-5-methyl-4-pyrimidinol #, 2-(butylthio)-5-methylpyrimidin-4(3H)-one
| Molecular Formula | C9H14N2OS |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.08269 |
| Heavy Atoms | 13 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 54845-20-4 |
|---|---|
| SMILES | CCCCSC1=NC=C(C(=O)N1)C |
| InChIKey | HOBULIANSSXNLM-UHFFFAOYSA-N |
Product Overview
4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl- (CAS 54845-20-4), with molecular formula C9H14N2OS and molecular weight 198.08 g/mol. IUPAC: 2-butylsulfanyl-5-methyl-1H-pyrimidin-6-one.
Chemical Property Profile of 4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl-
Property Insights of 4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl-. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl-. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl- 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, 2-(butylthio)-5-methyl-?
The CAS number of 4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl- is 54845-20-4.
What is the molecular formula of 4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl-?
The molecular formula of 4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl- is C9H14N2OS.
What is the molecular weight of 4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl-?
The molecular weight of 4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl- is 198.08 g/mol.
Where can I buy 4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl-?
You can request a quote for 4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl- 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, 2-(butylthio)-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Pyrimidinone, 2-(butylthio)-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.