BAS 02250914
TL;DR: BAS 02250914 (CAS 313062-91-8) is a chemical compound with molecular formula C23H18FN3O3S3 and molecular weight 499.05 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-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 02250914, (5Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-5-((3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, 3-[(5Z)-5-{[3-(4-FLUOROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-13-THIAZOLIDIN-3-YL]-1LAMBDA6-THIOLANE-11-DIONE
| Molecular Formula | C23H18FN3O3S3 |
|---|---|
| Molecular Weight | 499.05 g/mol |
| LogP | 4.0667 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.04944 |
| Heavy Atoms | 33 |
| Complexity | 1383.3097 |
Chemical Identifiers
| CAS Number | 313062-91-8 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N2C(=O)/C(=C/C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5)/SC2=S |
Product Overview
BAS 02250914 (CAS 313062-91-8), with molecular formula C23H18FN3O3S3 and molecular weight 499.05 g/mol. IUPAC: (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 02250914
Property Insights of BAS 02250914
The XLogP value of 4.0667 indicates that BAS 02250914 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02250914. Following Lipinski's Rule of Five, BAS 02250914 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 02250914?
The CAS number of BAS 02250914 is 313062-91-8.
What is the molecular formula of BAS 02250914?
The molecular formula of BAS 02250914 is C23H18FN3O3S3.
What is the molecular weight of BAS 02250914?
The molecular weight of BAS 02250914 is 499.05 g/mol.
Where can I buy BAS 02250914?
You can request a quote for BAS 02250914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02250914?
Yes, KEHONG BIO provides custom synthesis services for BAS 02250914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.