(E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate
TL;DR: (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate (CAS 374103-50-1) is a chemical compound with molecular formula C24H23NO4S2 and molecular weight 453.11 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] benzoate
Also Known As: (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate, [4-[(E)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] benzoate, 4-[(E)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl benzoate
| Molecular Formula | C24H23NO4S2 |
|---|---|
| Molecular Weight | 453.11 g/mol |
| LogP | 5.4483 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.10684 |
| Heavy Atoms | 31 |
| Complexity | 1029.1298 |
Chemical Identifiers
| CAS Number | 374103-50-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3CCCCC3)OC(=O)C4=CC=CC=C4 |
Product Overview
(E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate (CAS 374103-50-1), with molecular formula C24H23NO4S2 and molecular weight 453.11 g/mol. IUPAC: [4-[(E)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] benzoate.
Chemical Property Profile of (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate
Property Insights of (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate
The XLogP value of 5.4483 indicates that (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate 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 (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate?
The CAS number of (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate is 374103-50-1.
What is the molecular formula of (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate?
The molecular formula of (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate is C24H23NO4S2.
What is the molecular weight of (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate?
The molecular weight of (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate is 453.11 g/mol.
Where can I buy (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate?
You can request a quote for (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate 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 benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-cyclohexyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.