2-(butan-2-ylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one
TL;DR: 2-(butan-2-ylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one (CAS 372975-10-5) 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-butan-2-ylsulfanyl-4-hydroxy-1H-pyrimidin-6-one
Also Known As: 5-benzhydryl-2-(sec-butylthio)-6-hydroxypyrimidin-4(3H)-one, 5-benzhydryl-2-butan-2-ylsulfanyl-4-hydroxy-1H-pyrimidin-6-one, 5-benzhydryl-2-butan-2-ylsulfanyl-6-hydroxy-3H-pyrimidin-4-one, 2-(butan-2-ylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one
| Molecular Formula | C21H22N2O2S |
|---|---|
| Molecular Weight | 366.14 g/mol |
| LogP | 4.5463 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.1402 |
| Heavy Atoms | 26 |
| Complexity | 870.79913 |
Chemical Identifiers
| CAS Number | 372975-10-5 |
|---|---|
| SMILES | CCC(C)SC1=NC(=C(C(=O)N1)C(C2=CC=CC=C2)C3=CC=CC=C3)O |
Product Overview
2-(butan-2-ylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one (CAS 372975-10-5), with molecular formula C21H22N2O2S and molecular weight 366.14 g/mol. IUPAC: 5-benzhydryl-2-butan-2-ylsulfanyl-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 2-(butan-2-ylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one
Property Insights of 2-(butan-2-ylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one
The XLogP value of 4.5463 indicates that 2-(butan-2-ylsulfanyl)-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-(butan-2-ylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-(butan-2-ylsulfanyl)-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-(butan-2-ylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one?
The CAS number of 2-(butan-2-ylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one is 372975-10-5.
What is the molecular formula of 2-(butan-2-ylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one?
The molecular formula of 2-(butan-2-ylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one is C21H22N2O2S.
What is the molecular weight of 2-(butan-2-ylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one?
The molecular weight of 2-(butan-2-ylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one is 366.14 g/mol.
Where can I buy 2-(butan-2-ylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one?
You can request a quote for 2-(butan-2-ylsulfanyl)-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-(butan-2-ylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(butan-2-ylsulfanyl)-5-(diphenylmethyl)-6-hydroxypyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.