![2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate structure](/static/products/7534/753463-55-7.webp)
2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate
TL;DR: 2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate (CAS 753463-55-7) is a chemical compound with molecular formula C22H15NO6S3 and molecular weight 485.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(Z)-(2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate
Also Known As: 2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate, (Z)-2-((2-oxo-4-thioxothiazolidin-5-ylidene)methyl)phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate, [2-[(Z)-(2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate, 2-[(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo benzo[d]thiin-3-carboxylate
| Molecular Formula | C22H15NO6S3 |
|---|---|
| Molecular Weight | 485.01 g/mol |
| LogP | 4.6226 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.00616 |
| Heavy Atoms | 32 |
| Complexity | 1361.5187 |
Chemical Identifiers
| CAS Number | 753463-55-7 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)OC3=CC=CC=C3/C=C\4/C(=S)NC(=O)S4)OC |
Product Overview
2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate (CAS 753463-55-7), with molecular formula C22H15NO6S3 and molecular weight 485.01 g/mol. IUPAC: [2-[(Z)-(2-oxo-4-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 7,8-dimethoxy-1-oxoisothiochromene-3-carboxylate.
Chemical Property Profile of 2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate
Property Insights of 2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate
The XLogP value of 4.6226 indicates that 2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate. Following Lipinski's Rule of Five, 2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate has 1 hydrogen bond donor(s) and 9 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-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate?
The CAS number of 2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate is 753463-55-7.
What is the molecular formula of 2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate?
The molecular formula of 2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate is C22H15NO6S3.
What is the molecular weight of 2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate?
The molecular weight of 2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate is 485.01 g/mol.
Where can I buy 2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate?
You can request a quote for 2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Z)-(2-oxo-4-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.