BAS 00474078
TL;DR: BAS 00474078 (CAS 190653-57-7) is a chemical compound with molecular formula C21H16FN3O2S2 and molecular weight 425.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00474078, (5E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(4-fluorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one, (5E)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(4-fluorobenzylidene)-2-thioxothiazolidin-4-one, F0207-0544
| Molecular Formula | C21H16FN3O2S2 |
|---|---|
| Molecular Weight | 425.07 g/mol |
| LogP | 4.02932 |
| Topological Polar Surface Area | 47.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.0668 |
| Heavy Atoms | 29 |
| Complexity | 1211.2184 |
Chemical Identifiers
| CAS Number | 190653-57-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C\C4=CC=C(C=C4)F)/SC3=S |
Product Overview
BAS 00474078 (CAS 190653-57-7), with molecular formula C21H16FN3O2S2 and molecular weight 425.07 g/mol. IUPAC: (5E)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00474078
Property Insights of BAS 00474078
The XLogP value of 4.02932 indicates that BAS 00474078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.24 Ų, BAS 00474078 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00474078 has 0 hydrogen bond donor(s) and 4 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 BAS 00474078?
The CAS number of BAS 00474078 is 190653-57-7.
What is the molecular formula of BAS 00474078?
The molecular formula of BAS 00474078 is C21H16FN3O2S2.
What is the molecular weight of BAS 00474078?
The molecular weight of BAS 00474078 is 425.07 g/mol.
Where can I buy BAS 00474078?
You can request a quote for BAS 00474078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00474078?
Yes, KEHONG BIO provides custom synthesis services for BAS 00474078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.