N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide
TL;DR: N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide (CAS 714253-03-9) is a chemical compound with molecular formula C17H11N3O5S2 and molecular weight 401.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-nitrobenzamide
Also Known As: N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide, N-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-nitrobenzamide
| Molecular Formula | C17H11N3O5S2 |
|---|---|
| Molecular Weight | 401.01 g/mol |
| LogP | 3.2902 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.014 |
| Heavy Atoms | 27 |
| Complexity | 982.2149 |
Chemical Identifiers
| CAS Number | 714253-03-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NN2C(=O)/C(=C/C=C/C3=CC=CO3)/SC2=S |
Product Overview
N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide (CAS 714253-03-9), with molecular formula C17H11N3O5S2 and molecular weight 401.01 g/mol. IUPAC: N-[(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-nitrobenzamide.
Chemical Property Profile of N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide
Property Insights of N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide
The XLogP value of 3.2902 indicates that N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.69 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide has 1 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 N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide?
The CAS number of N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide is 714253-03-9.
What is the molecular formula of N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide?
The molecular formula of N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide is C17H11N3O5S2.
What is the molecular weight of N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide?
The molecular weight of N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide is 401.01 g/mol.
Where can I buy N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide?
You can request a quote for N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((Z)-5-((E)-3-(furan-2-yl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.