RefChem:449701
TL;DR: RefChem:449701 (CAS 623933-09-5) is a chemical compound with molecular formula C21H16FN3O4S3 and molecular weight 489.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: SALOR-INT L429317-1EA, (Z)-2-(5-((3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid, F1423-2499, 2-[(5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, 2-[(5Z)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid
| Molecular Formula | C21H16FN3O4S3 |
|---|---|
| Molecular Weight | 489.03 g/mol |
| LogP | 3.7674 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.0287 |
| Heavy Atoms | 32 |
| Complexity | 1320.0796 |
Chemical Identifiers
| CAS Number | 623933-09-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=C\4/C(=O)N(C(=S)S4)CCS(=O)(=O)O |
Product Overview
RefChem:449701 (CAS 623933-09-5), with molecular formula C21H16FN3O4S3 and molecular weight 489.03 g/mol. IUPAC: 2-[(5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
Chemical Property Profile of RefChem:449701
Property Insights of RefChem:449701
The XLogP value of 3.7674 indicates that RefChem:449701 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449701. Following Lipinski's Rule of Five, RefChem:449701 has 1 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 RefChem:449701?
The CAS number of RefChem:449701 is 623933-09-5.
What is the molecular formula of RefChem:449701?
The molecular formula of RefChem:449701 is C21H16FN3O4S3.
What is the molecular weight of RefChem:449701?
The molecular weight of RefChem:449701 is 489.03 g/mol.
Where can I buy RefChem:449701?
You can request a quote for RefChem:449701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449701?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.