BAS 00664198
TL;DR: BAS 00664198 (CAS 190653-52-2) is a chemical compound with molecular formula C23H21N3O4S2 and molecular weight 467.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00664198, (5E)-5-(3,4-DIMETHOXYBENZYLIDENE)-3-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, (5E)-5-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-3-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one, (E)-5-(3,4-dimethoxybenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxothiazolidin-4-one
| Molecular Formula | C23H21N3O4S2 |
|---|---|
| Molecular Weight | 467.10 g/mol |
| LogP | 3.90742 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.09735 |
| Heavy Atoms | 32 |
| Complexity | 1308.766 |
Chemical Identifiers
| CAS Number | 190653-52-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C\C4=CC(=C(C=C4)OC)OC)/SC3=S |
Product Overview
BAS 00664198 (CAS 190653-52-2), with molecular formula C23H21N3O4S2 and molecular weight 467.10 g/mol. IUPAC: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00664198
Property Insights of BAS 00664198
The XLogP value of 3.90742 indicates that BAS 00664198 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00664198. Following Lipinski's Rule of Five, BAS 00664198 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 00664198?
The CAS number of BAS 00664198 is 190653-52-2.
What is the molecular formula of BAS 00664198?
The molecular formula of BAS 00664198 is C23H21N3O4S2.
What is the molecular weight of BAS 00664198?
The molecular weight of BAS 00664198 is 467.10 g/mol.
Where can I buy BAS 00664198?
You can request a quote for BAS 00664198 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00664198?
Yes, KEHONG BIO provides custom synthesis services for BAS 00664198 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.