IFLab1_003948
TL;DR: IFLab1_003948 (CAS 307540-72-3) is a chemical compound with molecular formula C19H12BrF3N2O2S2 and molecular weight 499.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: IFLab1_003948, (Z)-2-(5-(3-bromobenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-(trifluoromethyl)phenyl)acetamide, 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide, F0888-0070, 2-[(5Z)-5-(3-bromobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C19H12BrF3N2O2S2 |
|---|---|
| Molecular Weight | 499.95 g/mol |
| LogP | 5.3078 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.94757 |
| Heavy Atoms | 29 |
| Complexity | 1024.509 |
Chemical Identifiers
| CAS Number | 307540-72-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CN2C(=O)/C(=C/C3=CC(=CC=C3)Br)/SC2=S |
Product Overview
IFLab1_003948 (CAS 307540-72-3), with molecular formula C19H12BrF3N2O2S2 and molecular weight 499.95 g/mol. IUPAC: 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of IFLab1_003948
Property Insights of IFLab1_003948
The XLogP value of 5.3078 indicates that IFLab1_003948 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_003948 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_003948 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_003948?
The CAS number of IFLab1_003948 is 307540-72-3.
What is the molecular formula of IFLab1_003948?
The molecular formula of IFLab1_003948 is C19H12BrF3N2O2S2.
What is the molecular weight of IFLab1_003948?
The molecular weight of IFLab1_003948 is 499.95 g/mol.
Where can I buy IFLab1_003948?
You can request a quote for IFLab1_003948 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003948?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003948 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.