IFLab1_004855
TL;DR: IFLab1_004855 (CAS 637320-19-5) is a chemical compound with molecular formula C22H19FN2O2S2 and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-fluorophenyl)-4-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
Also Known As: IFLab1_004855, IDI1_010610, F1063-2442, N-(3-fluorophenyl)-4-((Z)-4-oxo-5-((E)-3-phenylallylidene)-2-thioxothiazolidin-3-yl)butanamide, N-(3-FLUOROPHENYL)-4-[(5Z)-4-OXO-5-[(2E)-3-PHENYLPROP-2-EN-1-YLIDENE]-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BUTANAMIDE
| Molecular Formula | C22H19FN2O2S2 |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 5.002 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.0872 |
| Heavy Atoms | 29 |
| Complexity | 973.78735 |
Chemical Identifiers
| CAS Number | 637320-19-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC(=CC=C3)F |
Product Overview
IFLab1_004855 (CAS 637320-19-5), with molecular formula C22H19FN2O2S2 and molecular weight 426.09 g/mol. IUPAC: N-(3-fluorophenyl)-4-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide.
Chemical Property Profile of IFLab1_004855
Property Insights of IFLab1_004855
The XLogP value of 5.002 indicates that IFLab1_004855 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, IFLab1_004855 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_004855 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IFLab1_004855?
The CAS number of IFLab1_004855 is 637320-19-5.
What is the molecular formula of IFLab1_004855?
The molecular formula of IFLab1_004855 is C22H19FN2O2S2.
What is the molecular weight of IFLab1_004855?
The molecular weight of IFLab1_004855 is 426.09 g/mol.
Where can I buy IFLab1_004855?
You can request a quote for IFLab1_004855 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004855?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004855 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.