![2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol structure](/static/products/797/797018-02-1.png)
2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol
TL;DR: 2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol (CAS 797018-02-1) is a chemical compound with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-1H-pyrimidin-6-one
Also Known As: 2-(benzylthio)-5-(4-isobutoxybenzyl)pyrimidine-4,6-diol, 2-(benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol, 2-benzylsulfanyl-4-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-1H-pyrimidin-6-one
| Molecular Formula | C22H24N2O3S |
|---|---|
| Molecular Weight | 396.15 g/mol |
| LogP | 4.3934 |
| Topological Polar Surface Area | 75.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.15076 |
| Heavy Atoms | 28 |
| Complexity | 953.7659 |
Chemical Identifiers
| CAS Number | 797018-02-1 |
|---|---|
| SMILES | CC(C)COC1=CC=C(C=C1)CC2=C(N=C(NC2=O)SCC3=CC=CC=C3)O |
Product Overview
2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol (CAS 797018-02-1), with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol. IUPAC: 2-benzylsulfanyl-4-hydroxy-5-[[4-(2-methylpropoxy)phenyl]methyl]-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol
Property Insights of 2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol
The XLogP value of 4.3934 indicates that 2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]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 2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol?
The CAS number of 2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol is 797018-02-1.
What is the molecular formula of 2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol?
The molecular formula of 2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol is C22H24N2O3S.
What is the molecular weight of 2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol?
The molecular weight of 2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol is 396.15 g/mol.
Where can I buy 2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol?
You can request a quote for 2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]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 2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-5-[4-(2-methylpropoxy)benzyl]pyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.