![2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile structure](/static/products/4015/401576-10-1.webp)
2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile
TL;DR: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile (CAS 401576-10-1) is a chemical compound with molecular formula C15H11ClN2O2S and molecular weight 318.02 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]-6-methylpyridine-3-carbonitrile
Also Known As: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile, 2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6-methylnicotinonitrile, 2-(((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)thio)-6-methylnicotinonitrile, 2-[(6-chloro(2H-benzo[d]1,3-dioxolan-5-yl))methylthio]-6-methylpyridine-3-carb onitrile, 2-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6-methylpyridine-3-carbonitrile
| Molecular Formula | C15H11ClN2O2S |
|---|---|
| Molecular Weight | 318.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.02298 |
| Heavy Atoms | 21 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 401576-10-1 |
|---|---|
| SMILES | CC1=NC(=C(C=C1)C#N)SCC2=CC3=C(C=C2Cl)OCO3 |
| InChIKey | JHRVJOVVNPFUNP-UHFFFAOYSA-N |
Product Overview
2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile (CAS 401576-10-1), with molecular formula C15H11ClN2O2S and molecular weight 318.02 g/mol. IUPAC: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile.
Chemical Property Profile of 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile
Property Insights of 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile
The XLogP value of 3.8 indicates that 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 5 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-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile?
The CAS number of 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile is 401576-10-1.
What is the molecular formula of 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile?
The molecular formula of 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile is C15H11ClN2O2S.
What is the molecular weight of 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile?
The molecular weight of 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile is 318.02 g/mol.
Where can I buy 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile?
You can request a quote for 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.