![2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile structure](/static/products/907/907987-77-3.png)
2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile
TL;DR: 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile (CAS 907987-77-3) is a chemical compound with molecular formula C28H30N2O3S and molecular weight 474.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-tert-butylphenyl)-4-oxobutyl]sulfanyl-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile, 2-{[4-(4-TERT-BUTYLPHENYL)-4-OXOBUTYL]SULFANYL}-4-(FURAN-2-YL)-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBONITRILE, 2-[4-(4-tert-butylphenyl)-4-oxobutyl]sulfanyl-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
| Molecular Formula | C28H30N2O3S |
|---|---|
| Molecular Weight | 474.20 g/mol |
| LogP | 6.40248 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.19772 |
| Heavy Atoms | 34 |
| Complexity | 1175.7297 |
Chemical Identifiers
| CAS Number | 907987-77-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CCCSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CO4)C#N |
Product Overview
2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile (CAS 907987-77-3), with molecular formula C28H30N2O3S and molecular weight 474.20 g/mol. IUPAC: 2-[4-(4-tert-butylphenyl)-4-oxobutyl]sulfanyl-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile
Property Insights of 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile
The XLogP value of 6.40248 indicates that 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile. Following Lipinski's Rule of Five, 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile has 1 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 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile?
The CAS number of 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile is 907987-77-3.
What is the molecular formula of 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile?
The molecular formula of 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile is C28H30N2O3S.
What is the molecular weight of 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile?
The molecular weight of 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile is 474.20 g/mol.
Where can I buy 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile?
You can request a quote for 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-[4-(1,1-Dimethylethyl)phenyl]-4-oxobutyl]thio]-4-(2-furanyl)-4,6,7,8-tetrahydro-5-hydroxy-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.