BAS 02234696
TL;DR: BAS 02234696 (CAS 313272-52-5) is a chemical compound with molecular formula C21H17N3O4S3 and molecular weight 471.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 02234696, BIM-0003366.P001, (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[3-(furan-2-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((3-(furan-2-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
| Molecular Formula | C21H17N3O4S3 |
|---|---|
| Molecular Weight | 471.04 g/mol |
| LogP | 3.5206 |
| Topological Polar Surface Area | 85.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 471.03812 |
| Heavy Atoms | 31 |
| Complexity | 1294.8549 |
Chemical Identifiers
| CAS Number | 313272-52-5 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N2C(=O)/C(=C/C3=CN(N=C3C4=CC=CO4)C5=CC=CC=C5)/SC2=S |
Product Overview
BAS 02234696 (CAS 313272-52-5), with molecular formula C21H17N3O4S3 and molecular weight 471.04 g/mol. IUPAC: (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 02234696
Property Insights of BAS 02234696
The XLogP value of 3.5206 indicates that BAS 02234696 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.41 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02234696. Following Lipinski's Rule of Five, BAS 02234696 has 0 hydrogen bond donor(s) and 7 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 02234696?
The CAS number of BAS 02234696 is 313272-52-5.
What is the molecular formula of BAS 02234696?
The molecular formula of BAS 02234696 is C21H17N3O4S3.
What is the molecular weight of BAS 02234696?
The molecular weight of BAS 02234696 is 471.04 g/mol.
Where can I buy BAS 02234696?
You can request a quote for BAS 02234696 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02234696?
Yes, KEHONG BIO provides custom synthesis services for BAS 02234696 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.