(Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate
TL;DR: (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate (CAS 372970-13-3) is a chemical compound with molecular formula C26H20N2O6S2 and molecular weight 520.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(Z)-[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-nitrobenzoate
Also Known As: (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate, [2-methoxy-4-[(Z)-[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-nitrobenzoate
| Molecular Formula | C26H20N2O6S2 |
|---|---|
| Molecular Weight | 520.08 g/mol |
| LogP | 5.785 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.0763 |
| Heavy Atoms | 36 |
| Complexity | 1390.1917 |
Chemical Identifiers
| CAS Number | 372970-13-3 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC)/SC2=S |
Product Overview
(Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate (CAS 372970-13-3), with molecular formula C26H20N2O6S2 and molecular weight 520.08 g/mol. IUPAC: [2-methoxy-4-[(Z)-[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 3-nitrobenzoate.
Chemical Property Profile of (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate
Property Insights of (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate
The XLogP value of 5.785 indicates that (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate. Following Lipinski's Rule of Five, (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate?
The CAS number of (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate is 372970-13-3.
What is the molecular formula of (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate?
The molecular formula of (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate is C26H20N2O6S2.
What is the molecular weight of (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate?
The molecular weight of (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate is 520.08 g/mol.
Where can I buy (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate?
You can request a quote for (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.