BAS 00588689
TL;DR: BAS 00588689 (CAS 314047-56-8) is a chemical compound with molecular formula C17H9F4NOS2 and molecular weight 383.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Also Known As: BAS 00588689, (E)-5-(3-fluorobenzylidene)-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-4-one, (5E)-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one, F0266-5397, 5-(3-fluorobenzylidene)-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
| Molecular Formula | C17H9F4NOS2 |
|---|---|
| Molecular Weight | 383.01 g/mol |
| LogP | 5.2503 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.00616 |
| Heavy Atoms | 25 |
| Complexity | 892.21173 |
Chemical Identifiers
| CAS Number | 314047-56-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)/C=C/2\C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
BAS 00588689 (CAS 314047-56-8), with molecular formula C17H9F4NOS2 and molecular weight 383.01 g/mol. IUPAC: (5E)-5-[(3-fluorophenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00588689
Property Insights of BAS 00588689
The XLogP value of 5.2503 indicates that BAS 00588689 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, BAS 00588689 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00588689 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00588689?
The CAS number of BAS 00588689 is 314047-56-8.
What is the molecular formula of BAS 00588689?
The molecular formula of BAS 00588689 is C17H9F4NOS2.
What is the molecular weight of BAS 00588689?
The molecular weight of BAS 00588689 is 383.01 g/mol.
Where can I buy BAS 00588689?
You can request a quote for BAS 00588689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00588689?
Yes, KEHONG BIO provides custom synthesis services for BAS 00588689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.