6-(1-Adamantyl)-2-(methylsulfonyl)nicotinonitrile
TL;DR: 6-(1-Adamantyl)-2-(methylsulfonyl)nicotinonitrile (CAS 625367-77-3) is a chemical compound with molecular formula C17H20N2O2S and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1-adamantyl)-2-methylsulfonylpyridine-3-carbonitrile
Also Known As: 6-(1-adamantyl)-2-(methylsulfonyl)nicotinonitrile, AM-807/25099045, 6-(1-adamantyl)-2-methylsulfonylpyridine-3-carbonitrile
| Molecular Formula | C17H20N2O2S |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 2.82458 |
| Topological Polar Surface Area | 70.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.12454 |
| Heavy Atoms | 22 |
| Complexity | 741.05475 |
Chemical Identifiers
| CAS Number | 625367-77-3 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=CC(=N1)C23CC4CC(C2)CC(C4)C3)C#N |
Product Overview
6-(1-Adamantyl)-2-(methylsulfonyl)nicotinonitrile (CAS 625367-77-3), with molecular formula C17H20N2O2S and molecular weight 316.12 g/mol. IUPAC: 6-(1-adamantyl)-2-methylsulfonylpyridine-3-carbonitrile.
Chemical Property Profile of 6-(1-Adamantyl)-2-(methylsulfonyl)nicotinonitrile
Property Insights of 6-(1-Adamantyl)-2-(methylsulfonyl)nicotinonitrile
The XLogP value of 2.82458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1-Adamantyl)-2-(methylsulfonyl)nicotinonitrile. The TPSA of 70.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1-Adamantyl)-2-(methylsulfonyl)nicotinonitrile. Following Lipinski's Rule of Five, 6-(1-Adamantyl)-2-(methylsulfonyl)nicotinonitrile has 0 hydrogen bond donor(s) and 4 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-(methylsulfonyl)nicotinonitrile?
The CAS number of 6-(1-Adamantyl)-2-(methylsulfonyl)nicotinonitrile is 625367-77-3.
What is the molecular formula of 6-(1-Adamantyl)-2-(methylsulfonyl)nicotinonitrile?
The molecular formula of 6-(1-Adamantyl)-2-(methylsulfonyl)nicotinonitrile is C17H20N2O2S.
What is the molecular weight of 6-(1-Adamantyl)-2-(methylsulfonyl)nicotinonitrile?
The molecular weight of 6-(1-Adamantyl)-2-(methylsulfonyl)nicotinonitrile is 316.12 g/mol.
Where can I buy 6-(1-Adamantyl)-2-(methylsulfonyl)nicotinonitrile?
You can request a quote for 6-(1-Adamantyl)-2-(methylsulfonyl)nicotinonitrile 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-(methylsulfonyl)nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(1-Adamantyl)-2-(methylsulfonyl)nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.