4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 83989-90-6) is a chemical compound with molecular formula C14H12N2OS and molecular weight 256.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-yl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: 4-(2-furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 4-(furan-2-yl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile, BAS 01235514, 4-(furan-2-yl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 4-(2-Furanyl)-1,2,5,6,7,8-hexahydro-2-thioxo-3-quinolinecarbonitrile
| Molecular Formula | C14H12N2OS |
|---|---|
| Molecular Weight | 256.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.06705 |
| Heavy Atoms | 18 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 83989-90-6 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=S)N2)C#N)C3=CC=CO3 |
| InChIKey | MTTDRMWFWJDYJL-UHFFFAOYSA-N |
Product Overview
4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 83989-90-6), with molecular formula C14H12N2OS and molecular weight 256.07 g/mol. IUPAC: 4-(furan-2-yl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 3 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-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 83989-90-6.
What is the molecular formula of 4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C14H12N2OS.
What is the molecular weight of 4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 256.07 g/mol.
Where can I buy 4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-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-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Furyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.