RefChem:404623
TL;DR: RefChem:404623 (CAS 623935-54-6) is a chemical compound with molecular formula C23H20ClN3OS2 and molecular weight 453.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-butan-2-yl-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-3-sec-butyl-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one, 3-(sec-Butyl)-5-((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-(butan-2-yl)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-butan-2-yl-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-Sec-butyl-5-((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C23H20ClN3OS2 |
|---|---|
| Molecular Weight | 453.07 g/mol |
| LogP | 6.1924 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.07364 |
| Heavy Atoms | 30 |
| Complexity | 1123.1099 |
Chemical Identifiers
| CAS Number | 623935-54-6 |
|---|---|
| SMILES | CCC(C)N1C(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)/SC1=S |
Product Overview
RefChem:404623 (CAS 623935-54-6), with molecular formula C23H20ClN3OS2 and molecular weight 453.07 g/mol. IUPAC: (5Z)-3-butan-2-yl-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:404623
Property Insights of RefChem:404623
The XLogP value of 6.1924 indicates that RefChem:404623 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, RefChem:404623 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:404623 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:404623?
The CAS number of RefChem:404623 is 623935-54-6.
What is the molecular formula of RefChem:404623?
The molecular formula of RefChem:404623 is C23H20ClN3OS2.
What is the molecular weight of RefChem:404623?
The molecular weight of RefChem:404623 is 453.07 g/mol.
Where can I buy RefChem:404623?
You can request a quote for RefChem:404623 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404623?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404623 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.