5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol
TL;DR: 5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol (CAS 331978-40-6) is a chemical compound with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
Also Known As: BAS 00726103, 5-benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol, AB00083296-01, 5-benzyl-2-(benzylthio)-6-hydroxy-4(3H)-pyrimidinone, 5-benzyl-2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
| Molecular Formula | C18H16N2O2S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.09326 |
| Heavy Atoms | 23 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 331978-40-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=CC=C3)O |
| InChIKey | PMJGSWTWJFRHBU-UHFFFAOYSA-N |
Product Overview
5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol (CAS 331978-40-6), with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol. IUPAC: 5-benzyl-2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol
Property Insights of 5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol
The XLogP value of 3.5 indicates that 5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol. Following Lipinski's Rule of Five, 5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol has 2 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 5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol?
The CAS number of 5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol is 331978-40-6.
What is the molecular formula of 5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol?
The molecular formula of 5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol is C18H16N2O2S.
What is the molecular weight of 5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol?
The molecular weight of 5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol is 324.09 g/mol.
Where can I buy 5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol?
You can request a quote for 5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-2-(benzylsulfanyl)pyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.