6-sec-Butoxy-2-p-tolylsulfanyl-3H-pyrimidin-4-one
TL;DR: 6-sec-Butoxy-2-p-tolylsulfanyl-3H-pyrimidin-4-one (CAS 28629-63-2) 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.
4-butan-2-yloxy-2-(4-methylphenyl)sulfanyl-1H-pyrimidin-6-one
Also Known As: 6-sec-Butoxy-2-p-tolylsulfanyl-3H-pyrimidin-4-one, J1.320.140D, 6-(sec-Butoxy)-2-(p-tolylthio)pyrimidin-4(3H)-one, 2-(p-tolylsulfanyl)-4-sec-butoxy-1H-pyrimidin-6-one, 2-[(4-methylphenyl)sulfanyl]-6-(1-methylpropoxy)pyrimidin-4(3h)-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 | 412.0 |
Chemical Identifiers
| CAS Number | 28629-63-2 |
|---|---|
| SMILES | CCC(C)OC1=CC(=O)NC(=N1)SC2=CC=C(C=C2)C |
| InChIKey | YLSFEJHSVOKRNA-UHFFFAOYSA-N |
Product Overview
6-sec-Butoxy-2-p-tolylsulfanyl-3H-pyrimidin-4-one (CAS 28629-63-2), with molecular formula C15H18N2O2S and molecular weight 290.11 g/mol. IUPAC: 4-butan-2-yloxy-2-(4-methylphenyl)sulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 6-sec-Butoxy-2-p-tolylsulfanyl-3H-pyrimidin-4-one
Property Insights of 6-sec-Butoxy-2-p-tolylsulfanyl-3H-pyrimidin-4-one
The XLogP value of 3.6 indicates that 6-sec-Butoxy-2-p-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 6-sec-Butoxy-2-p-tolylsulfanyl-3H-pyrimidin-4-one. Following Lipinski's Rule of Five, 6-sec-Butoxy-2-p-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 6-sec-Butoxy-2-p-tolylsulfanyl-3H-pyrimidin-4-one?
The CAS number of 6-sec-Butoxy-2-p-tolylsulfanyl-3H-pyrimidin-4-one is 28629-63-2.
What is the molecular formula of 6-sec-Butoxy-2-p-tolylsulfanyl-3H-pyrimidin-4-one?
The molecular formula of 6-sec-Butoxy-2-p-tolylsulfanyl-3H-pyrimidin-4-one is C15H18N2O2S.
What is the molecular weight of 6-sec-Butoxy-2-p-tolylsulfanyl-3H-pyrimidin-4-one?
The molecular weight of 6-sec-Butoxy-2-p-tolylsulfanyl-3H-pyrimidin-4-one is 290.11 g/mol.
Where can I buy 6-sec-Butoxy-2-p-tolylsulfanyl-3H-pyrimidin-4-one?
You can request a quote for 6-sec-Butoxy-2-p-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 6-sec-Butoxy-2-p-tolylsulfanyl-3H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-sec-Butoxy-2-p-tolylsulfanyl-3H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.