5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one
TL;DR: 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one (CAS 415939-58-1) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
Also Known As: 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one, 5-benzyl-2-(ethylthio)-6-hydroxy-4(3H)-pyrimidinone, 5-benzyl-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 415939-58-1 |
|---|---|
| SMILES | CCSC1=NC(=C(C(=O)N1)CC2=CC=CC=C2)O |
| InChIKey | MLJPYQSZIKMBSW-UHFFFAOYSA-N |
Product Overview
5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one (CAS 415939-58-1), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: 5-benzyl-2-ethylsulfanyl-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one
Property Insights of 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-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 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one?
The CAS number of 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one is 415939-58-1.
What is the molecular formula of 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one?
The molecular formula of 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one is C13H14N2O2S.
What is the molecular weight of 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one?
The molecular weight of 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one is 262.08 g/mol.
Where can I buy 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one?
You can request a quote for 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-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 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.