IFLab1_004931
TL;DR: IFLab1_004931 (CAS 383895-45-2) is a chemical compound with molecular formula C19H20N2O2S and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-ethoxyphenyl)-2-methylsulfanyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: IFLab1_004931, 4-(2-ethoxyphenyl)-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-(2-ethoxyphenyl)-2-methylsulfanyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 4-(2-ethoxyphenyl)-2-(methylthio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C19H20N2O2S |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 3.87738 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.12454 |
| Heavy Atoms | 24 |
| Complexity | 773.81665 |
Chemical Identifiers
| CAS Number | 383895-45-2 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C(=C(NC3=C2C(=O)CCC3)SC)C#N |
Product Overview
IFLab1_004931 (CAS 383895-45-2), with molecular formula C19H20N2O2S and molecular weight 340.12 g/mol. IUPAC: 4-(2-ethoxyphenyl)-2-methylsulfanyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of IFLab1_004931
Property Insights of IFLab1_004931
The XLogP value of 3.87738 indicates that IFLab1_004931 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004931. Following Lipinski's Rule of Five, IFLab1_004931 has 1 hydrogen bond donor(s) and 5 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 IFLab1_004931?
The CAS number of IFLab1_004931 is 383895-45-2.
What is the molecular formula of IFLab1_004931?
The molecular formula of IFLab1_004931 is C19H20N2O2S.
What is the molecular weight of IFLab1_004931?
The molecular weight of IFLab1_004931 is 340.12 g/mol.
Where can I buy IFLab1_004931?
You can request a quote for IFLab1_004931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004931?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.