2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone
TL;DR: 2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone (CAS 352648-80-7) is a chemical compound with molecular formula C20H18N2O2S and molecular weight 350.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzhydryl-4-hydroxy-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one
Also Known As: AB00083303-01, 2-(allylthio)-5-benzhydryl-6-hydroxypyrimidin-4(1H)-one, 2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone, 2-(allylthio)-5-(diphenylmethyl)-6-hydroxy-4(1H)-pyrimidinone, 5-benzhydryl-4-hydroxy-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one
| Molecular Formula | C20H18N2O2S |
|---|---|
| Molecular Weight | 350.11 g/mol |
| LogP | 3.9338 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 350.1089 |
| Heavy Atoms | 25 |
| Complexity | 868.4842 |
Chemical Identifiers
| CAS Number | 352648-80-7 |
|---|---|
| SMILES | C=CCSC1=NC(=C(C(=O)N1)C(C2=CC=CC=C2)C3=CC=CC=C3)O |
Product Overview
2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone (CAS 352648-80-7), with molecular formula C20H18N2O2S and molecular weight 350.11 g/mol. IUPAC: 5-benzhydryl-4-hydroxy-2-prop-2-enylsulfanyl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone
Property Insights of 2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone
The XLogP value of 3.9338 indicates that 2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone 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-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone. Following Lipinski's Rule of Five, 2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone 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-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone?
The CAS number of 2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone is 352648-80-7.
What is the molecular formula of 2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone?
The molecular formula of 2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone is C20H18N2O2S.
What is the molecular weight of 2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone?
The molecular weight of 2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone is 350.11 g/mol.
Where can I buy 2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone?
You can request a quote for 2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-(allylsulfanyl)-5-benzhydryl-6-hydroxy-4(1H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.