4-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 4-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 94833-81-5) is a chemical compound with molecular formula C16H13FN2S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-fluorophenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: 4-(4-fluorophenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 4-(4-fluorophenyl)-2-mercapto-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 4-(4-fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 4-(4-fluorophenyl)-2-thioxo-1,5,6,7,8-pentahydroquinoline-3-carbonitrile, 4-(4-Fluoro-phenyl)-2-thioxo-1,2,5,6,7,8-hexahydro-quinoline-3-carbonitrile
| Molecular Formula | C16H13FN2S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.07834 |
| Heavy Atoms | 20 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 94833-81-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=S)N2)C#N)C3=CC=C(C=C3)F |
| InChIKey | XCTRLURDNXNECR-UHFFFAOYSA-N |
Product Overview
4-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 94833-81-5), with molecular formula C16H13FN2S and molecular weight 284.08 g/mol. IUPAC: 4-(4-fluorophenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 4-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 4-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 4-(4-Fluorophenyl)-2-sulfanyl-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-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 4-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 94833-81-5.
What is the molecular formula of 4-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 4-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C16H13FN2S.
What is the molecular weight of 4-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 4-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 284.08 g/mol.
Where can I buy 4-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 4-(4-Fluorophenyl)-2-sulfanyl-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-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Fluorophenyl)-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.