4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)-
TL;DR: 4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)- (CAS 2865-60-3) is a chemical compound with molecular formula C14H16N2OS2 and molecular weight 292.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-4-phenylsulfanyl-1H-pyrimidin-6-one
Also Known As: 4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)-, 2-Butylsulfanyl-6-phenylsulfanyl-3H-pyrimidin-4-one, 2-(Butylthio)-6-(phenylthio)pyrimidin-4(1H)-one, J1.320.155B, 2-(butylsulfanyl)-6-(phenylsulfanyl)pyrimidin-4(3h)-one
| Molecular Formula | C14H16N2OS2 |
|---|---|
| Molecular Weight | 292.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 92.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.0704 |
| Heavy Atoms | 19 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 2865-60-3 |
|---|---|
| SMILES | CCCCSC1=NC(=CC(=O)N1)SC2=CC=CC=C2 |
| InChIKey | HEXQXWAIZMQUTG-UHFFFAOYSA-N |
Product Overview
4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)- (CAS 2865-60-3), with molecular formula C14H16N2OS2 and molecular weight 292.07 g/mol. IUPAC: 2-butylsulfanyl-4-phenylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)-
Property Insights of 4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)-
The XLogP value of 3.7 indicates that 4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)-. Following Lipinski's Rule of Five, 4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)- 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 4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)-?
The CAS number of 4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)- is 2865-60-3.
What is the molecular formula of 4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)-?
The molecular formula of 4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)- is C14H16N2OS2.
What is the molecular weight of 4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)-?
The molecular weight of 4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)- is 292.07 g/mol.
Where can I buy 4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)-?
You can request a quote for 4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)- 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)-6-(phenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Pyrimidinone, 2-(butylthio)-6-(phenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.