N-(1-adamantoyloxy)pyridine-2-thione
TL;DR: N-(1-adamantoyloxy)pyridine-2-thione (CAS 91233-19-1) is a chemical compound with molecular formula C16H19NO2S and molecular weight 289.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-sulfanylidene-1-pyridinyl) adamantane-1-carboxylate
Also Known As: Apt-N,2, N- pyridine-2-thione, N-(1-Adamantoyloxy)pyridine-2-thione, (2-sulfanylidenepyridin-1-yl) adamantane-1-carboxylate, 1-[(Adamantan-1-yl)carbonyloxy]pyridine-2(1H)-thione
| Molecular Formula | C16H19NO2S |
|---|---|
| Molecular Weight | 289.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.11365 |
| Heavy Atoms | 20 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 91233-19-1 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)ON4C=CC=CC4=S |
| InChIKey | YIMPISJHYISTET-UHFFFAOYSA-N |
Product Overview
N-(1-adamantoyloxy)pyridine-2-thione (CAS 91233-19-1), with molecular formula C16H19NO2S and molecular weight 289.11 g/mol. IUPAC: (2-sulfanylidene-1-pyridinyl) adamantane-1-carboxylate.
Chemical Property Profile of N-(1-adamantoyloxy)pyridine-2-thione
Property Insights of N-(1-adamantoyloxy)pyridine-2-thione
The XLogP value of 3.7 indicates that N-(1-adamantoyloxy)pyridine-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-adamantoyloxy)pyridine-2-thione. Following Lipinski's Rule of Five, N-(1-adamantoyloxy)pyridine-2-thione has 0 hydrogen bond donor(s) and 3 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 N-(1-adamantoyloxy)pyridine-2-thione?
The CAS number of N-(1-adamantoyloxy)pyridine-2-thione is 91233-19-1.
What is the molecular formula of N-(1-adamantoyloxy)pyridine-2-thione?
The molecular formula of N-(1-adamantoyloxy)pyridine-2-thione is C16H19NO2S.
What is the molecular weight of N-(1-adamantoyloxy)pyridine-2-thione?
The molecular weight of N-(1-adamantoyloxy)pyridine-2-thione is 289.11 g/mol.
Where can I buy N-(1-adamantoyloxy)pyridine-2-thione?
You can request a quote for N-(1-adamantoyloxy)pyridine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-adamantoyloxy)pyridine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for N-(1-adamantoyloxy)pyridine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.