2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one
TL;DR: 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one (CAS 28646-40-4) is a chemical compound with molecular formula C15H18N2O2S and molecular weight 290.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butan-2-yloxy-4-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one
Also Known As: 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one, J1.320.152H, 2-(sec-Butoxy)-6-(m-tolylthio)pyrimidin-4(1H)-one, 4(1H)-Pyrimidinone, 6-((3-methylphenyl)thio)-2-(1-methylpropoxy)-, 4-(m-tolylsulfanyl)-2-sec-butoxy-1H-pyrimidin-6-one
| Molecular Formula | C15H18N2O2S |
|---|---|
| Molecular Weight | 290.11 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.1089 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 28646-40-4 |
|---|---|
| SMILES | CCC(C)OC1=NC(=CC(=O)N1)SC2=CC=CC(=C2)C |
| InChIKey | FRLBFGCAIOQYDD-UHFFFAOYSA-N |
Product Overview
2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one (CAS 28646-40-4), with molecular formula C15H18N2O2S and molecular weight 290.11 g/mol. IUPAC: 2-butan-2-yloxy-4-(3-methylphenyl)sulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one
Property Insights of 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one
The XLogP value of 3.6 indicates that 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one. Following Lipinski's Rule of Five, 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one has 1 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 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one?
The CAS number of 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one is 28646-40-4.
What is the molecular formula of 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one?
The molecular formula of 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one is C15H18N2O2S.
What is the molecular weight of 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one?
The molecular weight of 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one is 290.11 g/mol.
Where can I buy 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one?
You can request a quote for 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-sec-Butoxy-6-m-tolylsulfanyl-3H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.