2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one
TL;DR: 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one (CAS 372086-99-2) is a chemical compound with molecular formula C17H22N2O3S and molecular weight 334.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-methoxy-1H-pyrimidin-6-one
Also Known As: 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one, 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-methoxy-1H-pyrimidin-6-one
| Molecular Formula | C17H22N2O3S |
|---|---|
| Molecular Weight | 334.14 g/mol |
| LogP | 2.6561 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 334.1351 |
| Heavy Atoms | 23 |
| Complexity | 649.377 |
Chemical Identifiers
| CAS Number | 372086-99-2 |
|---|---|
| SMILES | COC1=CC(=O)NC(=N1)SCC(=O)C23CC4CC(C2)CC(C4)C3 |
Product Overview
2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one (CAS 372086-99-2), with molecular formula C17H22N2O3S and molecular weight 334.14 g/mol. IUPAC: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-methoxy-1H-pyrimidin-6-one.
Chemical Property Profile of 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one
Property Insights of 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one
The XLogP value of 2.6561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one has 1 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 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one?
The CAS number of 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one is 372086-99-2.
What is the molecular formula of 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one?
The molecular formula of 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one is C17H22N2O3S.
What is the molecular weight of 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one?
The molecular weight of 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one is 334.14 g/mol.
Where can I buy 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one?
You can request a quote for 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-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-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-6-methoxypyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.