(E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate
TL;DR: (E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate (CAS 300844-85-3) is a chemical compound with molecular formula C25H20ClNO5S3 and molecular weight 545.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-chloro-6-methoxyphenyl] 4-methylbenzenesulfonate
Also Known As: (E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate, [4-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-chloro-6-methoxyphenyl] 4-methylbenzenesulfonate, 4-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate
| Molecular Formula | C25H20ClNO5S3 |
|---|---|
| Molecular Weight | 545.02 g/mol |
| LogP | 5.82612 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 545.0192 |
| Heavy Atoms | 35 |
| Complexity | 1421.4613 |
Chemical Identifiers
| CAS Number | 300844-85-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)/C=C/3\C(=O)N(C(=S)S3)CC4=CC=CC=C4)OC |
Product Overview
(E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate (CAS 300844-85-3), with molecular formula C25H20ClNO5S3 and molecular weight 545.02 g/mol. IUPAC: [4-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-chloro-6-methoxyphenyl] 4-methylbenzenesulfonate.
Chemical Property Profile of (E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate
Property Insights of (E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate
The XLogP value of 5.82612 indicates that (E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, (E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate 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-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate?
The CAS number of (E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate is 300844-85-3.
What is the molecular formula of (E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate?
The molecular formula of (E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate is C25H20ClNO5S3.
What is the molecular weight of (E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate?
The molecular weight of (E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate is 545.02 g/mol.
Where can I buy (E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate?
You can request a quote for (E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate 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-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-benzyl-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-chloro-6-methoxyphenyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.