![2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone structure](/static/products/331/331950-90-4.png)
2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone
TL;DR: 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone (CAS 331950-90-4) is a chemical compound with molecular formula C16H20N2O3S and molecular weight 320.12 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-hydroxy-1H-pyrimidin-6-one
Also Known As: BAS 00666979, AE-848/30748028, 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone, 2-(2-Adamantan-1-yl-2-oxo-ethylsulfanyl)-6-hydroxy-3H-pyrimidin-4-one, 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one
| Molecular Formula | C16H20N2O3S |
|---|---|
| Molecular Weight | 320.12 g/mol |
| LogP | 2.3531 |
| Topological Polar Surface Area | 83.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.11948 |
| Heavy Atoms | 22 |
| Complexity | 634.31573 |
Chemical Identifiers
| CAS Number | 331950-90-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC(=CC(=O)N4)O |
Product Overview
2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone (CAS 331950-90-4), with molecular formula C16H20N2O3S and molecular weight 320.12 g/mol. IUPAC: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one.
Chemical Property Profile of 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone
Property Insights of 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone
The XLogP value of 2.3531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone. The TPSA of 83.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone. Following Lipinski's Rule of Five, 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone 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 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone?
The CAS number of 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone is 331950-90-4.
What is the molecular formula of 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone?
The molecular formula of 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone is C16H20N2O3S.
What is the molecular weight of 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone?
The molecular weight of 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone is 320.12 g/mol.
Where can I buy 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone?
You can request a quote for 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(1-adamantyl)-2-oxoethyl]thio}-6-hydroxy-4(3H)-pyrimidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.