2-(benzylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one
TL;DR: 2-(benzylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one (CAS 314032-59-2) is a chemical compound with molecular formula C24H20N2O2S and molecular weight 400.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzhydryl-2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
Also Known As: J1.208.974K, 2-(benzylsulfanyl)-5-(diphenylmethyl)pyrimidine-4,6-diol, 2-(Benzylthio)-5-benzhydryl-6-hydroxypyrimidine-4(1H)-one, 5-benzhydryl-2-(benzylthio)-6-hydroxypyrimidin-4(3H)-one, 5-benzhydryl-2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
| Molecular Formula | C24H20N2O2S |
|---|---|
| Molecular Weight | 400.12 g/mol |
| LogP | 4.948 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.12454 |
| Heavy Atoms | 29 |
| Complexity | 1090.3961 |
Chemical Identifiers
| CAS Number | 314032-59-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC(=C(C(=O)N2)C(C3=CC=CC=C3)C4=CC=CC=C4)O |
Product Overview
2-(benzylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one (CAS 314032-59-2), with molecular formula C24H20N2O2S and molecular weight 400.12 g/mol. IUPAC: 5-benzhydryl-2-benzylsulfanyl-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(benzylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one
Property Insights of 2-(benzylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one
The XLogP value of 4.948 indicates that 2-(benzylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-5-(diphenylmethyl)-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 2-(benzylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one?
The CAS number of 2-(benzylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one is 314032-59-2.
What is the molecular formula of 2-(benzylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one?
The molecular formula of 2-(benzylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one is C24H20N2O2S.
What is the molecular weight of 2-(benzylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one?
The molecular weight of 2-(benzylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one is 400.12 g/mol.
Where can I buy 2-(benzylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one?
You can request a quote for 2-(benzylsulfanyl)-5-(diphenylmethyl)-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 2-(benzylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.