RefChem:404746
TL;DR: RefChem:404746 (CAS 623935-27-3) is a chemical compound with molecular formula C30H26FN3O2S2 and molecular weight 543.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-3-(4-fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one, 5-((3-(4-Butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-fluorobenzyl)-2-thioxothiazolidin-4-one, (5Z)-5-((3-(4-Butoxyphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-3-(4-fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[3-(4-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(4-fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C30H26FN3O2S2 |
|---|---|
| Molecular Weight | 543.14 g/mol |
| LogP | 7.2587 |
| Topological Polar Surface Area | 47.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 543.145 |
| Heavy Atoms | 38 |
| Complexity | 1465.891 |
Chemical Identifiers
| CAS Number | 623935-27-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC4=CC=C(C=C4)F)C5=CC=CC=C5 |
Product Overview
RefChem:404746 (CAS 623935-27-3), with molecular formula C30H26FN3O2S2 and molecular weight 543.14 g/mol. IUPAC: (5Z)-5-[[3-(4-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:404746
Property Insights of RefChem:404746
The XLogP value of 7.2587 indicates that RefChem:404746 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.36 Ų, RefChem:404746 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:404746 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:404746?
The CAS number of RefChem:404746 is 623935-27-3.
What is the molecular formula of RefChem:404746?
The molecular formula of RefChem:404746 is C30H26FN3O2S2.
What is the molecular weight of RefChem:404746?
The molecular weight of RefChem:404746 is 543.14 g/mol.
Where can I buy RefChem:404746?
You can request a quote for RefChem:404746 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404746?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404746 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.