IFLab1_003507
TL;DR: IFLab1_003507 (CAS 394236-19-2) is a chemical compound with molecular formula C22H19F3N2O3S2 and molecular weight 480.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]butanamide
Also Known As: IFLab1_003507, 4-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]butanamide, F0750-0179, (Z)-4-(5-(3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-(trifluoromethyl)phenyl)butanamide, 4-[(5Z)-5-(3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]butanamide
| Molecular Formula | C22H19F3N2O3S2 |
|---|---|
| Molecular Weight | 480.08 g/mol |
| LogP | 5.3341 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 480.07892 |
| Heavy Atoms | 32 |
| Complexity | 1070.3817 |
Chemical Identifiers
| CAS Number | 394236-19-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC=C3C(F)(F)F |
Product Overview
IFLab1_003507 (CAS 394236-19-2), with molecular formula C22H19F3N2O3S2 and molecular weight 480.08 g/mol. IUPAC: 4-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]butanamide.
Chemical Property Profile of IFLab1_003507
Property Insights of IFLab1_003507
The XLogP value of 5.3341 indicates that IFLab1_003507 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, IFLab1_003507 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_003507 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IFLab1_003507?
The CAS number of IFLab1_003507 is 394236-19-2.
What is the molecular formula of IFLab1_003507?
The molecular formula of IFLab1_003507 is C22H19F3N2O3S2.
What is the molecular weight of IFLab1_003507?
The molecular weight of IFLab1_003507 is 480.08 g/mol.
Where can I buy IFLab1_003507?
You can request a quote for IFLab1_003507 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003507?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003507 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.