5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one
TL;DR: 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one (CAS 372503-72-5) is a chemical compound with molecular formula C15H14N2O3S and molecular weight 302.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-2-phenacylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one
Also Known As: 4-hydroxy-2-phenacylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one, 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one, 5-allyl-6-hydroxy-2-((2-oxo-2-phenylethyl)thio)pyrimidin-4(3H)-one, 5-Allyl-6-hydroxy-2-[(2-oxo-2-phenylethyl)sulfanyl]-4(3H)-pyrimidinone #, 6-hydroxy-2-[(2-oxo-2-phenylethyl)sulfanyl]-5-(prop-2-en-1-yl)pyrimidin-4(3H)-one
| Molecular Formula | C15H14N2O3S |
|---|---|
| Molecular Weight | 302.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.0725 |
| Heavy Atoms | 21 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 372503-72-5 |
|---|---|
| SMILES | C=CCC1=C(N=C(NC1=O)SCC(=O)C2=CC=CC=C2)O |
| InChIKey | OLAOHDXMZJIUCE-UHFFFAOYSA-N |
Product Overview
5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one (CAS 372503-72-5), with molecular formula C15H14N2O3S and molecular weight 302.07 g/mol. IUPAC: 4-hydroxy-2-phenacylsulfanyl-5-prop-2-enyl-1H-pyrimidin-6-one.
Chemical Property Profile of 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one
Property Insights of 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one. Following Lipinski's Rule of Five, 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one 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 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one?
The CAS number of 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one is 372503-72-5.
What is the molecular formula of 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one?
The molecular formula of 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one is C15H14N2O3S.
What is the molecular weight of 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one?
The molecular weight of 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one is 302.07 g/mol.
Where can I buy 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one?
You can request a quote for 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Allyl-6-hydroxy-2-(2-oxo-2-phenyl-ethylsulfanyl)-3H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.