![2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile structure](/static/products/4591/459154-94-0.webp)
2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 459154-94-0) is a chemical compound with molecular formula C17H15ClN2OS and molecular weight 330.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: ChemDiv3_003160, BAS 03395139, 2-[(4-chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-((4-chlorobenzyl)sulfinyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[(4-chlorobenzyl)sulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C17H15ClN2OS |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.05936 |
| Heavy Atoms | 22 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 459154-94-0 |
|---|---|
| SMILES | C1CCC2=NC(=C(C=C2C1)C#N)S(=O)CC3=CC=C(C=C3)Cl |
| InChIKey | CYBUCOVMTAQKIN-UHFFFAOYSA-N |
Product Overview
2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 459154-94-0), with molecular formula C17H15ClN2OS and molecular weight 330.06 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 3.5 indicates that 2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has 0 hydrogen bond donor(s) and 4 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 2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 459154-94-0.
What is the molecular formula of 2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C17H15ClN2OS.
What is the molecular weight of 2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 330.06 g/mol.
Where can I buy 2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-[(4-Chlorophenyl)methylsulfinyl]-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 2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorophenyl)methylsulfinyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.