2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate
TL;DR: 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate (CAS 374615-77-7) is a chemical compound with molecular formula C26H20ClNO4S2 and molecular weight 509.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzoate
Also Known As: 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate, [2-methoxy-4-[(E)-[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzoate, (E)-2-methoxy-4-((4-oxo-3-(1-phenylethyl)-2-thioxothiazolidin-5-ylidene)methyl)phenyl 4-chlorobenzoate, [2-methoxy-4-[(E)-[4-oxo-3-(1-phenylethyl)-2-thioxo-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzoate, 2-methoxy-4-{(E)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-chlorobenzoate
| Molecular Formula | C26H20ClNO4S2 |
|---|---|
| Molecular Weight | 509.05 g/mol |
| LogP | 6.5302 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.05222 |
| Heavy Atoms | 34 |
| Complexity | 1275.7179 |
Chemical Identifiers
| CAS Number | 374615-77-7 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl)OC)/SC2=S |
Product Overview
2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate (CAS 374615-77-7), with molecular formula C26H20ClNO4S2 and molecular weight 509.05 g/mol. IUPAC: [2-methoxy-4-[(E)-[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzoate.
Chemical Property Profile of 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate
Property Insights of 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate
The XLogP value of 6.5302 indicates that 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate 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 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate?
The CAS number of 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate is 374615-77-7.
What is the molecular formula of 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate?
The molecular formula of 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate is C26H20ClNO4S2.
What is the molecular weight of 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate?
The molecular weight of 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate is 509.05 g/mol.
Where can I buy 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate?
You can request a quote for 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.