rhodanine derivative, 40
TL;DR: rhodanine derivative, 40 (CAS 956793-84-3) is a chemical compound with molecular formula C22H19N3O5S3 and molecular weight 501.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: rhodanine derivative, 40, EX-A11868, (Z)-2-(5-((3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid, 2-[(5Z)-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, 2-[(5Z)-5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethane-1-sulfonic acid
| Molecular Formula | C22H19N3O5S3 |
|---|---|
| Molecular Weight | 501.05 g/mol |
| LogP | 3.6369 |
| Topological Polar Surface Area | 101.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.04868 |
| Heavy Atoms | 33 |
| Complexity | 1333.3558 |
Chemical Identifiers
| CAS Number | 956793-84-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCS(=O)(=O)O)C4=CC=CC=C4 |
Product Overview
rhodanine derivative, 40 (CAS 956793-84-3), with molecular formula C22H19N3O5S3 and molecular weight 501.05 g/mol. IUPAC: 2-[(5Z)-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
Chemical Property Profile of rhodanine derivative, 40
Property Insights of rhodanine derivative, 40
The XLogP value of 3.6369 indicates that rhodanine derivative, 40 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.73 Ų falls within the moderate polarity range, balancing permeability and solubility for rhodanine derivative, 40. Following Lipinski's Rule of Five, rhodanine derivative, 40 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of rhodanine derivative, 40?
The CAS number of rhodanine derivative, 40 is 956793-84-3.
What is the molecular formula of rhodanine derivative, 40?
The molecular formula of rhodanine derivative, 40 is C22H19N3O5S3.
What is the molecular weight of rhodanine derivative, 40?
The molecular weight of rhodanine derivative, 40 is 501.05 g/mol.
Where can I buy rhodanine derivative, 40?
You can request a quote for rhodanine derivative, 40 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rhodanine derivative, 40?
Yes, KEHONG BIO provides custom synthesis services for rhodanine derivative, 40 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.