Arylalkylidene rhodanine
TL;DR: Arylalkylidene rhodanine (CAS 335059-84-2) is a chemical compound with molecular formula C14H10N2O5S2 and molecular weight 350.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: Arylalkylidene rhodanine, J1.473.428G, 2-Thioxo-3-allyl-5-[(Z)-(6-nitro-1,3-benzodioxole-5-yl)methylene]-4-thiazolidinone, (5Z)-5-[(6-NITRO-2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5Z)-3-allyl-5-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-thioxo-thiazolidin-4-one
| Molecular Formula | C14H10N2O5S2 |
|---|---|
| Molecular Weight | 350.00 g/mol |
| LogP | 2.7107 |
| Topological Polar Surface Area | 81.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.0031 |
| Heavy Atoms | 23 |
| Complexity | 774.6763 |
Chemical Identifiers
| CAS Number | 335059-84-2 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/SC1=S |
Product Overview
Arylalkylidene rhodanine (CAS 335059-84-2), with molecular formula C14H10N2O5S2 and molecular weight 350.00 g/mol. IUPAC: (5Z)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of Arylalkylidene rhodanine
Property Insights of Arylalkylidene rhodanine
The XLogP value of 2.7107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arylalkylidene rhodanine. The TPSA of 81.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Arylalkylidene rhodanine. Following Lipinski's Rule of Five, Arylalkylidene rhodanine 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 Arylalkylidene rhodanine?
The CAS number of Arylalkylidene rhodanine is 335059-84-2.
What is the molecular formula of Arylalkylidene rhodanine?
The molecular formula of Arylalkylidene rhodanine is C14H10N2O5S2.
What is the molecular weight of Arylalkylidene rhodanine?
The molecular weight of Arylalkylidene rhodanine is 350.00 g/mol.
Where can I buy Arylalkylidene rhodanine?
You can request a quote for Arylalkylidene rhodanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arylalkylidene rhodanine?
Yes, KEHONG BIO provides custom synthesis services for Arylalkylidene rhodanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.