BAS 00564772
TL;DR: BAS 00564772 (CAS 190653-60-2) is a chemical compound with molecular formula C21H16N4O4S2 and molecular weight 452.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00564772, (5Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(4-nitrobenzylidene)-2-thioxothiazolidin-4-one, 3-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-5-[(4-NITROPHENYL)METHYLENE]-2-THIOXO-1,3-THIAZOLAN-4-ONE, 3-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))-5-[(4-nitrophenyl)methylene] -2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C21H16N4O4S2 |
|---|---|
| Molecular Weight | 452.06 g/mol |
| LogP | 3.79842 |
| Topological Polar Surface Area | 90.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.0613 |
| Heavy Atoms | 31 |
| Complexity | 1307.6428 |
Chemical Identifiers
| CAS Number | 190653-60-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C/C4=CC=C(C=C4)[N+](=O)[O-])/SC3=S |
Product Overview
BAS 00564772 (CAS 190653-60-2), with molecular formula C21H16N4O4S2 and molecular weight 452.06 g/mol. IUPAC: (5Z)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00564772
Property Insights of BAS 00564772
The XLogP value of 3.79842 indicates that BAS 00564772 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.38 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00564772. Following Lipinski's Rule of Five, BAS 00564772 has 0 hydrogen bond donor(s) and 6 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 00564772?
The CAS number of BAS 00564772 is 190653-60-2.
What is the molecular formula of BAS 00564772?
The molecular formula of BAS 00564772 is C21H16N4O4S2.
What is the molecular weight of BAS 00564772?
The molecular weight of BAS 00564772 is 452.06 g/mol.
Where can I buy BAS 00564772?
You can request a quote for BAS 00564772 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00564772?
Yes, KEHONG BIO provides custom synthesis services for BAS 00564772 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.