1-adamantylthiopyridine
TL;DR: 1-adamantylthiopyridine (CAS 54570-99-9) is a chemical compound with molecular formula C15H19NS and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantylsulfanyl)pyridine
Also Known As: 1-adamantylthiopyridine, 2-(1-adamantylsulfanyl)pyridine, 2-(adamantan-1-ylthio)pyridine, 2-[(Adamantan-1-yl)sulfanyl]pyridine, S(c1ccccn1)C23CC4CC(C2)CC(C3)C4
| Molecular Formula | C15H19NS |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 38.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.12383 |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 54570-99-9 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)SC4=CC=CC=N4 |
| InChIKey | SVJWQEGMDZRYMP-UHFFFAOYSA-N |
Product Overview
1-adamantylthiopyridine (CAS 54570-99-9), with molecular formula C15H19NS and molecular weight 245.12 g/mol. IUPAC: 2-(1-adamantylsulfanyl)pyridine.
Chemical Property Profile of 1-adamantylthiopyridine
Property Insights of 1-adamantylthiopyridine
The XLogP value of 4.4 indicates that 1-adamantylthiopyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.2 Ų, 1-adamantylthiopyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-adamantylthiopyridine has 0 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 1-adamantylthiopyridine?
The CAS number of 1-adamantylthiopyridine is 54570-99-9.
What is the molecular formula of 1-adamantylthiopyridine?
The molecular formula of 1-adamantylthiopyridine is C15H19NS.
What is the molecular weight of 1-adamantylthiopyridine?
The molecular weight of 1-adamantylthiopyridine is 245.12 g/mol.
Where can I buy 1-adamantylthiopyridine?
You can request a quote for 1-adamantylthiopyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-adamantylthiopyridine?
Yes, KEHONG BIO provides custom synthesis services for 1-adamantylthiopyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.