IFLab1_003419
TL;DR: IFLab1_003419 (CAS 394239-40-8) is a chemical compound with molecular formula C23H22N2O3S2 and molecular weight 438.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(4-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: IFLab1_003419, F0750-0065, (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-(2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)-5-(4-ethoxybenzylidene)-2-thioxothiazolidin-4-one, (5Z)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(4-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C23H22N2O3S2 |
|---|---|
| Molecular Weight | 438.11 g/mol |
| LogP | 4.2659 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.10718 |
| Heavy Atoms | 30 |
| Complexity | 1017.3632 |
Chemical Identifiers
| CAS Number | 394239-40-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)N3CCCC4=CC=CC=C43 |
Product Overview
IFLab1_003419 (CAS 394239-40-8), with molecular formula C23H22N2O3S2 and molecular weight 438.11 g/mol. IUPAC: (5Z)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-[(4-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of IFLab1_003419
Property Insights of IFLab1_003419
The XLogP value of 4.2659 indicates that IFLab1_003419 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.85 Ų, IFLab1_003419 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_003419 has 0 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_003419?
The CAS number of IFLab1_003419 is 394239-40-8.
What is the molecular formula of IFLab1_003419?
The molecular formula of IFLab1_003419 is C23H22N2O3S2.
What is the molecular weight of IFLab1_003419?
The molecular weight of IFLab1_003419 is 438.11 g/mol.
Where can I buy IFLab1_003419?
You can request a quote for IFLab1_003419 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003419?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003419 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.