![2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile structure](/static/products/313/313379-92-9.png)
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
TL;DR: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 313379-92-9) is a chemical compound with molecular formula C18H15BrN2OS and molecular weight 386.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile, A0829/0038851, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[2-(4-bromophenyl)-2-oxoethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C18H15BrN2OS |
|---|---|
| Molecular Weight | 386.01 g/mol |
| LogP | 4.56958 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 386.00885 |
| Heavy Atoms | 23 |
| Complexity | 780.844 |
Chemical Identifiers
| CAS Number | 313379-92-9 |
|---|---|
| SMILES | C1CCC2=NC(=C(C=C2C1)C#N)SCC(=O)C3=CC=C(C=C3)Br |
Product Overview
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CAS 313379-92-9), with molecular formula C18H15BrN2OS and molecular weight 386.01 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Property Insights of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
The XLogP value of 4.56958 indicates that 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-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, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-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-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The CAS number of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 313379-92-9.
What is the molecular formula of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular formula of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile is C18H15BrN2OS.
What is the molecular weight of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The molecular weight of 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile is 386.01 g/mol.
Where can I buy 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
You can request a quote for 2-{[2-(4-bromophenyl)-2-oxoethyl]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 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.