![2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile structure](/static/products/3104/310456-40-7.webp)
2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
TL;DR: 2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile (CAS 310456-40-7) is a chemical compound with molecular formula C18H16N2OS and molecular weight 308.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenacylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: TimTec1_002790, 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, BAS 07415533, 2-phenacylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, AN-329/40130227
| Molecular Formula | C18H16N2OS |
|---|---|
| Molecular Weight | 308.10 g/mol |
| LogP | 3.80708 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.09833 |
| Heavy Atoms | 22 |
| Complexity | 734.7426 |
Chemical Identifiers
| CAS Number | 310456-40-7 |
|---|---|
| SMILES | C1CCC2=NC(=C(C=C2C1)C#N)SCC(=O)C3=CC=CC=C3 |
Product Overview
2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile (CAS 310456-40-7), with molecular formula C18H16N2OS and molecular weight 308.10 g/mol. IUPAC: 2-phenacylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
Property Insights of 2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
The XLogP value of 3.80708 indicates that 2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile 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-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile 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-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The CAS number of 2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is 310456-40-7.
What is the molecular formula of 2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The molecular formula of 2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is C18H16N2OS.
What is the molecular weight of 2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
The molecular weight of 2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile is 308.10 g/mol.
Where can I buy 2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
You can request a quote for 2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydro-3-quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.