2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile
TL;DR: 2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile (CAS 350992-10-8) is a chemical compound with molecular formula C28H30N2OS and molecular weight 442.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-cyclohexylpropylsulfanyl)-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
Also Known As: Bifeprunox, 2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile, BAS 01516527, 2-(3-Cyclohexyl-propylsulfanyl)-4-(4-methoxy-phenyl)-6-phenyl-nicotinonitrile, 2-(3-cyclohexylpropylsulfanyl)-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
| Molecular Formula | C28H30N2OS |
|---|---|
| Molecular Weight | 442.21 g/mol |
| LogP | 7.74848 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.2079 |
| Heavy Atoms | 32 |
| Complexity | 1051.2856 |
Chemical Identifiers
| CAS Number | 350992-10-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCCCC3CCCCC3)C4=CC=CC=C4 |
Product Overview
2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile (CAS 350992-10-8), with molecular formula C28H30N2OS and molecular weight 442.21 g/mol. IUPAC: 2-(3-cyclohexylpropylsulfanyl)-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile
Property Insights of 2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile
The XLogP value of 7.74848 indicates that 2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-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-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-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-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
The CAS number of 2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile is 350992-10-8.
What is the molecular formula of 2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
The molecular formula of 2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile is C28H30N2OS.
What is the molecular weight of 2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
The molecular weight of 2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile is 442.21 g/mol.
Where can I buy 2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
You can request a quote for 2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Cyclohexylpropyl)thio)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.