(E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)benzoate
TL;DR: (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)benzoate (CAS 373376-92-2) is a chemical compound with molecular formula C27H25NO5S2 and molecular weight 507.12 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-tert-butylbenzoate
Also Known As: (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)benzoate, [4-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 4-tert-butylbenzoate, 4-{(E)-[3-(2-furylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl 4-tert-butylbenzoate
| Molecular Formula | C27H25NO5S2 |
|---|---|
| Molecular Weight | 507.12 g/mol |
| LogP | 6.2063 |
| Topological Polar Surface Area | 68.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 507.1174 |
| Heavy Atoms | 35 |
| Complexity | 1288.1058 |
Chemical Identifiers
| CAS Number | 373376-92-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CC4=CC=CO4)OC |
Product Overview
(E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)benzoate (CAS 373376-92-2), with molecular formula C27H25NO5S2 and molecular weight 507.12 g/mol. IUPAC: [4-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 4-tert-butylbenzoate.
Chemical Property Profile of (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)benzoate
Property Insights of (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)benzoate
The XLogP value of 6.2063 indicates that (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)benzoate 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-(tert-butyl)benzoate. Following Lipinski's Rule of Five, (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)benzoate 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-(tert-butyl)benzoate?
The CAS number of (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)benzoate is 373376-92-2.
What is the molecular formula of (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)benzoate?
The molecular formula of (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)benzoate is C27H25NO5S2.
What is the molecular weight of (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)benzoate?
The molecular weight of (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)benzoate is 507.12 g/mol.
Where can I buy (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)benzoate?
You can request a quote for (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)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-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl 4-(tert-butyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.