F3394-1265
TL;DR: F3394-1265 (CAS 727689-84-1) is a chemical compound with molecular formula C21H22N2OS and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile
Also Known As: F3394-1265, 2-(benzylsulfanyl)-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-benzylsulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile, 2-(benzylthio)-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, 2-(benzylthio)-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C21H22N2OS |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 4.96308 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.1453 |
| Heavy Atoms | 25 |
| Complexity | 850.4352 |
Chemical Identifiers
| CAS Number | 727689-84-1 |
|---|---|
| SMILES | CCC1=C(C(=NC2=C1C(=O)CC(C2)(C)C)SCC3=CC=CC=C3)C#N |
Product Overview
F3394-1265 (CAS 727689-84-1), with molecular formula C21H22N2OS and molecular weight 350.15 g/mol. IUPAC: 2-benzylsulfanyl-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile.
Chemical Property Profile of F3394-1265
Property Insights of F3394-1265
The XLogP value of 4.96308 indicates that F3394-1265 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, F3394-1265 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F3394-1265 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 F3394-1265?
The CAS number of F3394-1265 is 727689-84-1.
What is the molecular formula of F3394-1265?
The molecular formula of F3394-1265 is C21H22N2OS.
What is the molecular weight of F3394-1265?
The molecular weight of F3394-1265 is 350.15 g/mol.
Where can I buy F3394-1265?
You can request a quote for F3394-1265 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3394-1265?
Yes, KEHONG BIO provides custom synthesis services for F3394-1265 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.