RefChem:404775
TL;DR: RefChem:404775 (CAS 623935-57-9) is a chemical compound with molecular formula C22H18N4O4S2 and molecular weight 466.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-methyl-2-thioxothiazolidin-4-one, (5Z)-5-{[3-(4-ETHOXY-3-NITROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-3-METHYL-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, (5Z)-5-((3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-3-methyl-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C22H18N4O4S2 |
|---|---|
| Molecular Weight | 466.08 g/mol |
| LogP | 4.6772 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.07693 |
| Heavy Atoms | 32 |
| Complexity | 1254.0717 |
Chemical Identifiers
| CAS Number | 623935-57-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C)C4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
RefChem:404775 (CAS 623935-57-9), with molecular formula C22H18N4O4S2 and molecular weight 466.08 g/mol. IUPAC: (5Z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of RefChem:404775
Property Insights of RefChem:404775
The XLogP value of 4.6772 indicates that RefChem:404775 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:404775. Following Lipinski's Rule of Five, RefChem:404775 has 0 hydrogen bond donor(s) and 7 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:404775?
The CAS number of RefChem:404775 is 623935-57-9.
What is the molecular formula of RefChem:404775?
The molecular formula of RefChem:404775 is C22H18N4O4S2.
What is the molecular weight of RefChem:404775?
The molecular weight of RefChem:404775 is 466.08 g/mol.
Where can I buy RefChem:404775?
You can request a quote for RefChem:404775 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:404775?
Yes, KEHONG BIO provides custom synthesis services for RefChem:404775 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.