![2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile structure](/static/products/299/299441-30-8.png)
2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile
TL;DR: 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile (CAS 299441-30-8) is a chemical compound with molecular formula C26H17ClN2O2S and molecular weight 456.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile
Also Known As: 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile, 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile, 2-[(6-chlorobenzo[1,3]dioxol-5-yl)methylsulfanyl]-4,6-diphenyl-pyridine-3-carbonitrile, 2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile, 2-[(6-chloro(2H-benzo[d]1,3-dioxolan-5-yl))methylthio]-4,6-diphenylpyridine-3- carbonitrile
| Molecular Formula | C26H17ClN2O2S |
|---|---|
| Molecular Weight | 456.07 g/mol |
| LogP | 6.96168 |
| Topological Polar Surface Area | 55.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.06992 |
| Heavy Atoms | 32 |
| Complexity | 1321.4807 |
Chemical Identifiers
| CAS Number | 299441-30-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N)Cl |
Product Overview
2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile (CAS 299441-30-8), with molecular formula C26H17ClN2O2S and molecular weight 456.07 g/mol. IUPAC: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-diphenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile
Property Insights of 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile
The XLogP value of 6.96168 indicates that 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.14 Ų, 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile?
The CAS number of 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile is 299441-30-8.
What is the molecular formula of 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile?
The molecular formula of 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile is C26H17ClN2O2S.
What is the molecular weight of 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile?
The molecular weight of 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile is 456.07 g/mol.
Where can I buy 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile?
You can request a quote for 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-4,6-diphenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.