5-benzhydryl-2-(butylsulfanyl)-6-hydroxy-4(1H)-pyrimidinone
TL;DR: 5-benzhydryl-2-(butylsulfanyl)-6-hydroxy-4(1H)-pyrimidinone (CAS 352648-79-4) is a chemical compound with molecular formula C21H22N2O2S and molecular weight 366.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzhydryl-2-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
Also Known As: 5-benzhydryl-2-(butylthio)-6-hydroxypyrimidin-4(1H)-one, 5-benzhydryl-2-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one, 5-benzhydryl-2-butylsulfanyl-6-hydroxy-3H-pyrimidin-4-one, 2-(butylthio)-5-(diphenylmethyl)-6-hydroxy-4(1H)-pyrimidinone, 5-benzhydryl-2-(butylsulfanyl)-6-hydroxy-4(1H)-pyrimidinone
| Molecular Formula | C21H22N2O2S |
|---|---|
| Molecular Weight | 366.14 g/mol |
| LogP | 4.5479 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.1402 |
| Heavy Atoms | 26 |
| Complexity | 855.3896 |
Chemical Identifiers
| CAS Number | 352648-79-4 |
|---|---|
| SMILES | CCCCSC1=NC(=C(C(=O)N1)C(C2=CC=CC=C2)C3=CC=CC=C3)O |
Product Overview
5-benzhydryl-2-(butylsulfanyl)-6-hydroxy-4(1H)-pyrimidinone (CAS 352648-79-4), with molecular formula C21H22N2O2S and molecular weight 366.14 g/mol. IUPAC: 5-benzhydryl-2-butylsulfanyl-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 5-benzhydryl-2-(butylsulfanyl)-6-hydroxy-4(1H)-pyrimidinone
Property Insights of 5-benzhydryl-2-(butylsulfanyl)-6-hydroxy-4(1H)-pyrimidinone
The XLogP value of 4.5479 indicates that 5-benzhydryl-2-(butylsulfanyl)-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 5-benzhydryl-2-(butylsulfanyl)-6-hydroxy-4(1H)-pyrimidinone. Following Lipinski's Rule of Five, 5-benzhydryl-2-(butylsulfanyl)-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 5-benzhydryl-2-(butylsulfanyl)-6-hydroxy-4(1H)-pyrimidinone?
The CAS number of 5-benzhydryl-2-(butylsulfanyl)-6-hydroxy-4(1H)-pyrimidinone is 352648-79-4.
What is the molecular formula of 5-benzhydryl-2-(butylsulfanyl)-6-hydroxy-4(1H)-pyrimidinone?
The molecular formula of 5-benzhydryl-2-(butylsulfanyl)-6-hydroxy-4(1H)-pyrimidinone is C21H22N2O2S.
What is the molecular weight of 5-benzhydryl-2-(butylsulfanyl)-6-hydroxy-4(1H)-pyrimidinone?
The molecular weight of 5-benzhydryl-2-(butylsulfanyl)-6-hydroxy-4(1H)-pyrimidinone is 366.14 g/mol.
Where can I buy 5-benzhydryl-2-(butylsulfanyl)-6-hydroxy-4(1H)-pyrimidinone?
You can request a quote for 5-benzhydryl-2-(butylsulfanyl)-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 5-benzhydryl-2-(butylsulfanyl)-6-hydroxy-4(1H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-benzhydryl-2-(butylsulfanyl)-6-hydroxy-4(1H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.