5-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol
TL;DR: 5-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol (CAS 23227-86-3) is a chemical compound with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one
Also Known As: BAS 00471957, AJ-292/36454001, 5-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol, 5-(4-ethoxybenzyl)-2-(methylthio)pyrimidine-4,6-diol, 5-(4-ethoxybenzyl)-2-(methylsulfanyl)-4,6-pyrimidinediol
| Molecular Formula | C14H16N2O3S |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 2.1869 |
| Topological Polar Surface Area | 75.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.08817 |
| Heavy Atoms | 20 |
| Complexity | 637.85754 |
Chemical Identifiers
| CAS Number | 23227-86-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SC)O |
Product Overview
5-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol (CAS 23227-86-3), with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol. IUPAC: 5-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 5-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol
Property Insights of 5-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol
The XLogP value of 2.1869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol. The TPSA of 75.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol. Following Lipinski's Rule of Five, 5-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol has 2 hydrogen bond donor(s) and 5 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-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol?
The CAS number of 5-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol is 23227-86-3.
What is the molecular formula of 5-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol?
The molecular formula of 5-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol is C14H16N2O3S.
What is the molecular weight of 5-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol?
The molecular weight of 5-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol is 292.09 g/mol.
Where can I buy 5-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol?
You can request a quote for 5-(4-Ethoxy-benzyl)-2-methylsulfanyl-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-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Ethoxy-benzyl)-2-methylsulfanyl-pyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.