2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile
TL;DR: 2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile (CAS 337505-55-2) is a chemical compound with molecular formula C26H26N2OS and molecular weight 414.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyclohexylmethylsulfanyl)-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
Also Known As: 2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile, BAS 01377628, 2-Cyclohexylmethylsulfanyl-6-(4-methoxy-phenyl)-4-phenyl-nicotinonitrile, 2-(cyclohexylmethylsulfanyl)-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile, 2-[(cyclohexylmethyl)sulfanyl]-6-(4-methoxyphenyl)-4-phenylnicotinonitrile
| Molecular Formula | C26H26N2OS |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | 6.96828 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.17657 |
| Heavy Atoms | 30 |
| Complexity | 1019.3944 |
Chemical Identifiers
| CAS Number | 337505-55-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3)C#N)SCC4CCCCC4 |
Product Overview
2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile (CAS 337505-55-2), with molecular formula C26H26N2OS and molecular weight 414.18 g/mol. IUPAC: 2-(cyclohexylmethylsulfanyl)-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile
Property Insights of 2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile
The XLogP value of 6.96828 indicates that 2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, 2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile?
The CAS number of 2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile is 337505-55-2.
What is the molecular formula of 2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile?
The molecular formula of 2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile is C26H26N2OS.
What is the molecular weight of 2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile?
The molecular weight of 2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile is 414.18 g/mol.
Where can I buy 2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile?
You can request a quote for 2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-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-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((Cyclohexylmethyl)thio)-6-(4-methoxyphenyl)-4-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.