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4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile
TL;DR: 4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile (CAS 701920-29-8) is a chemical compound with molecular formula C16H11N3S and molecular weight 277.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(quinoxalin-2-ylsulfanylmethyl)benzonitrile
Also Known As: 4-[(quinoxalin-2-ylsulfanyl)methyl]benzonitrile, 4-(quinoxalin-2-ylsulfanylmethyl)benzonitrile, p-[(2-quinoxalinylthio)methyl]benzonitrile, 4-((quinoxalin-2-ylthio)methyl)benzonitrile, 4-(quinoxalin-2-ylthiomethyl)benzenecarbonitrile
| Molecular Formula | C16H11N3S |
|---|---|
| Molecular Weight | 277.07 g/mol |
| LogP | 3.79378 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.06738 |
| Heavy Atoms | 20 |
| Complexity | 775.57904 |
Chemical Identifiers
| CAS Number | 701920-29-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CC(=N2)SCC3=CC=C(C=C3)C#N |
Product Overview
4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile (CAS 701920-29-8), with molecular formula C16H11N3S and molecular weight 277.07 g/mol. IUPAC: 4-(quinoxalin-2-ylsulfanylmethyl)benzonitrile.
Chemical Property Profile of 4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile
Property Insights of 4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile
The XLogP value of 3.79378 indicates that 4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile has 0 hydrogen bond donor(s) and 4 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 4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile?
The CAS number of 4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile is 701920-29-8.
What is the molecular formula of 4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile?
The molecular formula of 4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile is C16H11N3S.
What is the molecular weight of 4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile?
The molecular weight of 4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile is 277.07 g/mol.
Where can I buy 4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile?
You can request a quote for 4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Quinoxalin-2-ylsulfanyl)methyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.