rhodanine derivative, 45
TL;DR: rhodanine derivative, 45 (CAS 1204732-35-3) is a chemical compound with molecular formula C23H18ClN3O3S3 and molecular weight 515.02 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-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: rhodanine derivative, 45, F0170-0269, (Z)-5-((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(1,1-dioxidotetrahydrothiophen-3-yl)-2-thioxothiazolidin-4-one, 3-[(5Z)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-1lambda6-thiolane-1,1-dione, (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C23H18ClN3O3S3 |
|---|---|
| Molecular Weight | 515.02 g/mol |
| LogP | 4.581 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 515.0199 |
| Heavy Atoms | 33 |
| Complexity | 1383.3097 |
Chemical Identifiers
| CAS Number | 1204732-35-3 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N2C(=O)/C(=C/C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)/SC2=S |
Product Overview
rhodanine derivative, 45 (CAS 1204732-35-3), with molecular formula C23H18ClN3O3S3 and molecular weight 515.02 g/mol. IUPAC: (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of rhodanine derivative, 45
Property Insights of rhodanine derivative, 45
The XLogP value of 4.581 indicates that rhodanine derivative, 45 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for rhodanine derivative, 45. Following Lipinski's Rule of Five, rhodanine derivative, 45 has 0 hydrogen bond donor(s) and 6 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, 45?
The CAS number of rhodanine derivative, 45 is 1204732-35-3.
What is the molecular formula of rhodanine derivative, 45?
The molecular formula of rhodanine derivative, 45 is C23H18ClN3O3S3.
What is the molecular weight of rhodanine derivative, 45?
The molecular weight of rhodanine derivative, 45 is 515.02 g/mol.
Where can I buy rhodanine derivative, 45?
You can request a quote for rhodanine derivative, 45 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rhodanine derivative, 45?
Yes, KEHONG BIO provides custom synthesis services for rhodanine derivative, 45 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.