![2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate structure](/static/products/6509/6509-80-4.webp)
2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate
TL;DR: 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate (CAS 6509-80-4) is a chemical compound with molecular formula C17H12ClNO5S3 and molecular weight 440.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-chloro-6-methoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzenesulfonate
Also Known As: 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate, [2-chloro-6-methoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzenesulfonate, 2-Chloro-6-methoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate, 2-CHLORO-6-METHOXY-4-{[(5Z)-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}PHENYL BENZENESULFONATE, RefChem:313980
| Molecular Formula | C17H12ClNO5S3 |
|---|---|
| Molecular Weight | 440.96 g/mol |
| LogP | 3.6051 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.9566 |
| Heavy Atoms | 27 |
| Complexity | 1051.7386 |
Chemical Identifiers
| CAS Number | 6509-80-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=S)S2)Cl)OS(=O)(=O)C3=CC=CC=C3 |
Product Overview
2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate (CAS 6509-80-4), with molecular formula C17H12ClNO5S3 and molecular weight 440.96 g/mol. IUPAC: [2-chloro-6-methoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzenesulfonate.
Chemical Property Profile of 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate
Property Insights of 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate
The XLogP value of 3.6051 indicates that 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate. Following Lipinski's Rule of Five, 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate?
The CAS number of 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate is 6509-80-4.
What is the molecular formula of 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate?
The molecular formula of 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate is C17H12ClNO5S3.
What is the molecular weight of 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate?
The molecular weight of 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate is 440.96 g/mol.
Where can I buy 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate?
You can request a quote for 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-6-methoxy-4-[(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.