![3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile structure](/static/products/315/315247-23-5.png)
3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 315247-23-5) is a chemical compound with molecular formula C20H19ClN2OS and molecular weight 370.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-((2-(4-chlorophenyl)-2-oxoethyl)thio)-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C20H19ClN2OS |
|---|---|
| Molecular Weight | 370.09 g/mol |
| LogP | 5.02288 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.09067 |
| Heavy Atoms | 25 |
| Complexity | 840.2551 |
Chemical Identifiers
| CAS Number | 315247-23-5 |
|---|---|
| SMILES | CCC1=NC(=C(C2=C1CCCC2)C#N)SCC(=O)C3=CC=C(C=C3)Cl |
Product Overview
3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 315247-23-5), with molecular formula C20H19ClN2OS and molecular weight 370.09 g/mol. IUPAC: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 5.02288 indicates that 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 315247-23-5.
What is the molecular formula of 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C20H19ClN2OS.
What is the molecular weight of 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 370.09 g/mol.
Where can I buy 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.