2-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)pyrimidine-4,6-diol
TL;DR: 2-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)pyrimidine-4,6-diol (CAS 373367-95-4) 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-[(3-methyl-4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one
Also Known As: ChemDiv3_002083, IDI1_021049, BRD-K89733908-001-01-6, 2-(benzylthio)-5-(4-isopropoxy-3-methylbenzyl)pyrimidine-4,6-diol, 2-(benzylsulfanyl)-5-[3-methyl-4-(propan-2-yloxy)benzyl]pyrimidine-4,6-diol
| Molecular Formula | C22H24N2O3S |
|---|---|
| Molecular Weight | 396.15 g/mol |
| LogP | 4.45422 |
| Topological Polar Surface Area | 75.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.15076 |
| Heavy Atoms | 28 |
| Complexity | 1000.4089 |
Chemical Identifiers
| CAS Number | 373367-95-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)CC2=C(N=C(NC2=O)SCC3=CC=CC=C3)O)OC(C)C |
Product Overview
2-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)pyrimidine-4,6-diol (CAS 373367-95-4), with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol. IUPAC: 2-benzylsulfanyl-4-hydroxy-5-[(3-methyl-4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)pyrimidine-4,6-diol
Property Insights of 2-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)pyrimidine-4,6-diol
The XLogP value of 4.45422 indicates that 2-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)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-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)pyrimidine-4,6-diol. Following Lipinski's Rule of Five, 2-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)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-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)pyrimidine-4,6-diol?
The CAS number of 2-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)pyrimidine-4,6-diol is 373367-95-4.
What is the molecular formula of 2-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)pyrimidine-4,6-diol?
The molecular formula of 2-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)pyrimidine-4,6-diol is C22H24N2O3S.
What is the molecular weight of 2-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)pyrimidine-4,6-diol?
The molecular weight of 2-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)pyrimidine-4,6-diol is 396.15 g/mol.
Where can I buy 2-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)pyrimidine-4,6-diol?
You can request a quote for 2-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)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-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)pyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylthio)-5-(4-isopropoxy-3-methylbenzyl)pyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.