![2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile structure](/static/products/1126/112629-74-0.webp)
2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile
TL;DR: 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile (CAS 112629-74-0) is a chemical compound with molecular formula C19H22N2S and molecular weight 310.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1-adamantyl)-2-prop-2-enylsulfanylpyridine-3-carbonitrile
Also Known As: 6-(1-adamantyl)-3-cyano-2-allylthiopyridine, 6-adamantanyl-2-prop-2-enylthiopyridine-3-carbonitrile, 6-(1-adamantyl)-2-prop-2-enylsulfanyl-pyridine-3-carbonitrile, 6-(1-adamantyl)-2-prop-2-enylsulfanylpyridine-3-carbonitrile, 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile
| Molecular Formula | C19H22N2S |
|---|---|
| Molecular Weight | 310.15 g/mol |
| LogP | 4.69918 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.15036 |
| Heavy Atoms | 22 |
| Complexity | 608.0413 |
Chemical Identifiers
| CAS Number | 112629-74-0 |
|---|---|
| SMILES | C=CCSC1=C(C=CC(=N1)C23CC4CC(C2)CC(C4)C3)C#N |
Product Overview
2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile (CAS 112629-74-0), with molecular formula C19H22N2S and molecular weight 310.15 g/mol. IUPAC: 6-(1-adamantyl)-2-prop-2-enylsulfanylpyridine-3-carbonitrile.
Chemical Property Profile of 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile
Property Insights of 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile
The XLogP value of 4.69918 indicates that 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile 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 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile?
The CAS number of 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile is 112629-74-0.
What is the molecular formula of 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile?
The molecular formula of 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile is C19H22N2S.
What is the molecular weight of 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile?
The molecular weight of 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile is 310.15 g/mol.
Where can I buy 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile?
You can request a quote for 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Propen-1-ylthio)-6-tricyclo[3.3.1.13,7]dec-1-yl-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.