RefChem:404754
TL;DR: RefChem:404754 (CAS 623936-01-6) is a chemical compound with molecular formula C26H17ClFN3OS2 and molecular weight 505.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-5-{[3-(4-CHLOROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-3-(4-FLUOROBENZYL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, 5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-fluorobenzyl)-2-thioxothiazolidin-4-one, (5Z)-5-((3-(4-CHLOROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE)-3-(4-FLUOROBENZYL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(4-fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C26H17ClFN3OS2 |
|---|---|
| Molecular Weight | 505.05 g/mol |
| LogP | 6.7332 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 505.04855 |
| Heavy Atoms | 34 |
| Complexity | 1400.5035 |
Chemical Identifiers
| CAS Number | 623936-01-6 |
|---|---|
| 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)CC5=CC=C(C=C5)F |
Product Overview
RefChem:404754 (CAS 623936-01-6), with molecular formula C26H17ClFN3OS2 and molecular weight 505.05 g/mol. IUPAC: (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:404754
Property Insights of RefChem:404754
The XLogP value of 6.7332 indicates that RefChem:404754 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:404754 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:404754 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:404754?
The CAS number of RefChem:404754 is 623936-01-6.
What is the molecular formula of RefChem:404754?
The molecular formula of RefChem:404754 is C26H17ClFN3OS2.
What is the molecular weight of RefChem:404754?
The molecular weight of RefChem:404754 is 505.05 g/mol.
Where can I buy RefChem:404754?
You can request a quote for RefChem:404754 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404754?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404754 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.