![methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate structure](/static/products/609/609796-92-1.png)
methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate
TL;DR: methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate (CAS 609796-92-1) is a chemical compound with molecular formula C24H21N3O5S2 and molecular weight 495.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetyl]amino]benzoate
Also Known As: methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate, 646-159-5, Methyl 4-((((3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-YL)acetyl)amino)benzoate, methyl 4-[[2-[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetyl]amino]benzoate, RefChem:815716
| Molecular Formula | C24H21N3O5S2 |
|---|---|
| Molecular Weight | 495.09 g/mol |
| LogP | 3.4399 |
| Topological Polar Surface Area | 96.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.09225 |
| Heavy Atoms | 34 |
| Complexity | 1239.4244 |
Chemical Identifiers
| CAS Number | 609796-92-1 |
|---|---|
| SMILES | CCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)C(=O)OC)/SC1=S |
Product Overview
methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate (CAS 609796-92-1), with molecular formula C24H21N3O5S2 and molecular weight 495.09 g/mol. IUPAC: methyl 4-[[2-[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate
Property Insights of methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate
The XLogP value of 3.4399 indicates that methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.02 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate 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 methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate?
The CAS number of methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate is 609796-92-1.
What is the molecular formula of methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate?
The molecular formula of methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate is C24H21N3O5S2.
What is the molecular weight of methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate?
The molecular weight of methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate is 495.09 g/mol.
Where can I buy methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate?
You can request a quote for methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.