RefChem:493463
TL;DR: RefChem:493463 (CAS 1010865-12-9) is a chemical compound with molecular formula C22H16ClN3O3S2 and molecular weight 469.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 3-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-(5-{[3-(4-CHLOROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)PROPANOIC ACID, 3-[(5Z)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid, (Z)-3-(5-((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)propanoic acid
| Molecular Formula | C22H16ClN3O3S2 |
|---|---|
| Molecular Weight | 469.03 g/mol |
| LogP | 4.8686 |
| Topological Polar Surface Area | 75.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.03217 |
| Heavy Atoms | 31 |
| Complexity | 1190.47 |
Chemical Identifiers
| CAS Number | 1010865-12-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)/C=C\4/C(=O)N(C(=S)S4)CCC(=O)O |
Product Overview
RefChem:493463 (CAS 1010865-12-9), with molecular formula C22H16ClN3O3S2 and molecular weight 469.03 g/mol. IUPAC: 3-[(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of RefChem:493463
Property Insights of RefChem:493463
The XLogP value of 4.8686 indicates that RefChem:493463 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.43 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:493463. Following Lipinski's Rule of Five, RefChem:493463 has 1 hydrogen bond donor(s) and 5 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:493463?
The CAS number of RefChem:493463 is 1010865-12-9.
What is the molecular formula of RefChem:493463?
The molecular formula of RefChem:493463 is C22H16ClN3O3S2.
What is the molecular weight of RefChem:493463?
The molecular weight of RefChem:493463 is 469.03 g/mol.
Where can I buy RefChem:493463?
You can request a quote for RefChem:493463 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:493463?
Yes, KEHONG BIO provides custom synthesis services for RefChem:493463 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.