RefChem:488731
TL;DR: RefChem:488731 (CAS 623935-01-3) is a chemical compound with molecular formula C24H20FN3O4S2 and molecular weight 497.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 3-((5Z)-5-{[3-(4-ETHOXY-3-FLUOROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID, 3-(5-((3-(4-Ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-((5Z)-5-((3-(4-Ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)propanoic acid, 3-[(5Z)-5-[[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 3-[(5Z)-5-{[3-(4-ethoxy-3-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C24H20FN3O4S2 |
|---|---|
| Molecular Weight | 497.09 g/mol |
| LogP | 4.753 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 497.08792 |
| Heavy Atoms | 34 |
| Complexity | 1290.6251 |
Chemical Identifiers
| CAS Number | 623935-01-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCC(=O)O)C4=CC=CC=C4)F |
Product Overview
RefChem:488731 (CAS 623935-01-3), with molecular formula C24H20FN3O4S2 and molecular weight 497.09 g/mol. IUPAC: 3-[(5Z)-5-[[3-(4-ethoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of RefChem:488731
Property Insights of RefChem:488731
The XLogP value of 4.753 indicates that RefChem:488731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:488731. Following Lipinski's Rule of Five, RefChem:488731 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:488731?
The CAS number of RefChem:488731 is 623935-01-3.
What is the molecular formula of RefChem:488731?
The molecular formula of RefChem:488731 is C24H20FN3O4S2.
What is the molecular weight of RefChem:488731?
The molecular weight of RefChem:488731 is 497.09 g/mol.
Where can I buy RefChem:488731?
You can request a quote for RefChem:488731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:488731?
Yes, KEHONG BIO provides custom synthesis services for RefChem:488731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.