(E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate
TL;DR: (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate (CAS 374086-58-5) is a chemical compound with molecular formula C24H22N2O6S2 and molecular weight 498.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] 4-nitrobenzoate
Also Known As: (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate, [4-[(E)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] 4-nitrobenzoate, 4-[(E)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl 4-nitrobenzoate
| Molecular Formula | C24H22N2O6S2 |
|---|---|
| Molecular Weight | 498.09 g/mol |
| LogP | 5.3565 |
| Topological Polar Surface Area | 98.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.09192 |
| Heavy Atoms | 34 |
| Complexity | 1172.4857 |
Chemical Identifiers
| CAS Number | 374086-58-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3CCCCC3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
(E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate (CAS 374086-58-5), with molecular formula C24H22N2O6S2 and molecular weight 498.09 g/mol. IUPAC: [4-[(E)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] 4-nitrobenzoate.
Chemical Property Profile of (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate
Property Insights of (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate
The XLogP value of 5.3565 indicates that (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-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 (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate. Following Lipinski's Rule of Five, (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-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 (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate?
The CAS number of (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate is 374086-58-5.
What is the molecular formula of (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate?
The molecular formula of (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate is C24H22N2O6S2.
What is the molecular weight of (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate?
The molecular weight of (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate is 498.09 g/mol.
Where can I buy (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate?
You can request a quote for (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.