2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile
TL;DR: 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile (CAS 126888-08-2) is a chemical compound with molecular formula C21H18N2OS and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
Also Known As: BAS 00851102, 2-(ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile, 2-ethylsulfanyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile, A0259/0011727, 2-Ethylsulfanyl-4-(4-methoxy-phenyl)-6-phenyl-nicotinonitrile
| Molecular Formula | C21H18N2OS |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 5.40788 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.11398 |
| Heavy Atoms | 25 |
| Complexity | 899.6743 |
Chemical Identifiers
| CAS Number | 126888-08-2 |
|---|---|
| SMILES | CCSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)OC)C#N |
Product Overview
2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile (CAS 126888-08-2), with molecular formula C21H18N2OS and molecular weight 346.11 g/mol. IUPAC: 2-ethylsulfanyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile
Property Insights of 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile
The XLogP value of 5.40788 indicates that 2-(Ethylsulfanyl)-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-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Ethylsulfanyl)-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-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
The CAS number of 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile is 126888-08-2.
What is the molecular formula of 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
The molecular formula of 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile is C21H18N2OS.
What is the molecular weight of 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
The molecular weight of 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile is 346.11 g/mol.
Where can I buy 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
You can request a quote for 2-(Ethylsulfanyl)-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-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethylsulfanyl)-4-(4-methoxyphenyl)-6-phenylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.