2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one
TL;DR: 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one (CAS 333445-34-4) is a chemical compound with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
Also Known As: ChemDiv3_001904, IDI1_020870, BAS 02138751, 2-Benzylsulfanyl-6-hydroxy-5-propyl-3H-pyrimidin-4-one, 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one
| Molecular Formula | C14H16N2O2S |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.09326 |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 333445-34-4 |
|---|---|
| SMILES | CCCC1=C(N=C(NC1=O)SCC2=CC=CC=C2)O |
| InChIKey | ISBMBIOIDLEZFK-UHFFFAOYSA-N |
Product Overview
2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one (CAS 333445-34-4), with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol. IUPAC: 2-benzylsulfanyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one
Property Insights of 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one 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 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one?
The CAS number of 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one is 333445-34-4.
What is the molecular formula of 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one?
The molecular formula of 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one is C14H16N2O2S.
What is the molecular weight of 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one?
The molecular weight of 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one is 276.09 g/mol.
Where can I buy 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one?
You can request a quote for 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-6-hydroxy-5-propylpyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.