2-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile
TL;DR: 2-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile (CAS 686280-47-7) is a chemical compound with molecular formula C17H18N2S and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-6-methyl-4-phenylpyridine-3-carbonitrile
Also Known As: 2-(butylsulfanyl)-6-methyl-4-phenylnicotinonitrile, 2-butylsulfanyl-6-methyl-4-phenylpyridine-3-carbonitrile, AP-906/41743808, 2-butylthio-6-methyl-4-phenylpyridine-3-carbonitrile, 2-butylsulfanyl-6-methyl-4-phenyl-pyridine-3-carbonitrile
| Molecular Formula | C17H18N2S |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 4.8209 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.11908 |
| Heavy Atoms | 20 |
| Complexity | 614.8774 |
Chemical Identifiers
| CAS Number | 686280-47-7 |
|---|---|
| SMILES | CCCCSC1=NC(=CC(=C1C#N)C2=CC=CC=C2)C |
Product Overview
2-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile (CAS 686280-47-7), with molecular formula C17H18N2S and molecular weight 282.12 g/mol. IUPAC: 2-butylsulfanyl-6-methyl-4-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile
Property Insights of 2-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile
The XLogP value of 4.8209 indicates that 2-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile 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-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile 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-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile?
The CAS number of 2-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile is 686280-47-7.
What is the molecular formula of 2-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile?
The molecular formula of 2-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile is C17H18N2S.
What is the molecular weight of 2-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile?
The molecular weight of 2-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile is 282.12 g/mol.
Where can I buy 2-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile?
You can request a quote for 2-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Butylsulfanyl)-6-methyl-4-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.