(E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate
TL;DR: (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate (CAS 374084-58-9) is a chemical compound with molecular formula C23H16ClNO5S2 and molecular weight 485.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
Also Known As: (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate, [4-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate, 4-{(E)-[3-(2-FURYLMETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-2-METHOXYPHENYL 4-CHLOROBENZOATE
| Molecular Formula | C23H16ClNO5S2 |
|---|---|
| Molecular Weight | 485.02 g/mol |
| LogP | 5.5622 |
| Topological Polar Surface Area | 68.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.01584 |
| Heavy Atoms | 32 |
| Complexity | 1205.6345 |
Chemical Identifiers
| CAS Number | 374084-58-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CO3)OC(=O)C4=CC=C(C=C4)Cl |
Product Overview
(E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate (CAS 374084-58-9), with molecular formula C23H16ClNO5S2 and molecular weight 485.02 g/mol. IUPAC: [4-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate.
Chemical Property Profile of (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate
Property Insights of (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate
The XLogP value of 5.5622 indicates that (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate. Following Lipinski's Rule of Five, (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate has 0 hydrogen bond donor(s) and 7 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-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate?
The CAS number of (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate is 374084-58-9.
What is the molecular formula of (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate?
The molecular formula of (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate is C23H16ClNO5S2.
What is the molecular weight of (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate?
The molecular weight of (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate is 485.02 g/mol.
Where can I buy (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate?
You can request a quote for (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate 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-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.