2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile
TL;DR: 2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile (CAS 493030-87-8) is a chemical compound with molecular formula C23H16N2O2S and molecular weight 384.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-oxo-6-phenoxy-1H-quinoline-3-carbonitrile
Also Known As: 2-(benzylthio)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile, 2-benzylsulfanyl-4-oxo-6-phenoxy-1H-quinoline-3-carbonitrile, 2-(benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile
| Molecular Formula | C23H16N2O2S |
|---|---|
| Molecular Weight | 384.09 g/mol |
| LogP | 5.48438 |
| Topological Polar Surface Area | 65.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.09326 |
| Heavy Atoms | 28 |
| Complexity | 1212.5319 |
Chemical Identifiers
| CAS Number | 493030-87-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C(=O)C3=C(N2)C=CC(=C3)OC4=CC=CC=C4)C#N |
Product Overview
2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile (CAS 493030-87-8), with molecular formula C23H16N2O2S and molecular weight 384.09 g/mol. IUPAC: 2-benzylsulfanyl-4-oxo-6-phenoxy-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile
Property Insights of 2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile
The XLogP value of 5.48438 indicates that 2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile has 1 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-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile?
The CAS number of 2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile is 493030-87-8.
What is the molecular formula of 2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile?
The molecular formula of 2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile is C23H16N2O2S.
What is the molecular weight of 2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile?
The molecular weight of 2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile is 384.09 g/mol.
Where can I buy 2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile?
You can request a quote for 2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-4-oxo-6-phenoxy-1,4-dihydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.