6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one
TL;DR: 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one (CAS 23939-19-7) is a chemical compound with molecular formula C14H18N2OS and molecular weight 262.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one, 6-(Adamantan-1-yl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C14H18N2OS |
|---|---|
| Molecular Weight | 262.11 g/mol |
| LogP | 2.90029 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.11398 |
| Heavy Atoms | 18 |
| Complexity | 536.76764 |
Chemical Identifiers
| CAS Number | 23939-19-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=CC(=O)NC(=S)N4 |
Product Overview
6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one (CAS 23939-19-7), with molecular formula C14H18N2OS and molecular weight 262.11 g/mol. IUPAC: 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one
Property Insights of 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one
The XLogP value of 2.90029 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one. With a topological polar surface area (TPSA) of 48.65 Ų, 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one has 2 hydrogen bond donor(s) and 2 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 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The CAS number of 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one is 23939-19-7.
What is the molecular formula of 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular formula of 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one is C14H18N2OS.
What is the molecular weight of 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one?
The molecular weight of 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one is 262.11 g/mol.
Where can I buy 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one?
You can request a quote for 6-(1-adamantyl)-2-sulfanylidene-1H-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 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(1-adamantyl)-2-sulfanylidene-1H-pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.