4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 799769-87-2) is a chemical compound with molecular formula C28H24N2O3S and molecular weight 468.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxy-3-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-(4-hydroxy-3-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 4-(4-hydroxy-3-methoxyphenyl)-2-[(naphthalen-1-ylmethyl)sulfanyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C28H24N2O3S |
|---|---|
| Molecular Weight | 468.15 g/mol |
| LogP | 5.91648 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.15076 |
| Heavy Atoms | 34 |
| Complexity | 1395.0217 |
Chemical Identifiers
| CAS Number | 799769-87-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=CC5=CC=CC=C54)C#N)O |
Product Overview
4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 799769-87-2), with molecular formula C28H24N2O3S and molecular weight 468.15 g/mol. IUPAC: 4-(4-hydroxy-3-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 5.91648 indicates that 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 799769-87-2.
What is the molecular formula of 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is C28H24N2O3S.
What is the molecular weight of 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 468.15 g/mol.
Where can I buy 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-hydroxy-3-methoxyphenyl)-2-((naphthalen-1-ylmethyl)thio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.