![4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate structure](/static/products/5674/5674-66-8.webp)
4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate
TL;DR: 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate (CAS 5674-66-8) is a chemical compound with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-[4-(diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenolate
Also Known As: 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate, 4-[[3-[4-(diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenolate
| Molecular Formula | C21H22N2O3S2 |
|---|---|
| Molecular Weight | 414.11 g/mol |
| LogP | 2.7308 |
| Topological Polar Surface Area | 57.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.10718 |
| Heavy Atoms | 28 |
| Complexity | 921.748 |
Chemical Identifiers
| CAS Number | 5674-66-8 |
|---|---|
| SMILES | CC[NH+](CC)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)[O-])OC)SC2=S |
Product Overview
4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate (CAS 5674-66-8), with molecular formula C21H22N2O3S2 and molecular weight 414.11 g/mol. IUPAC: 4-[[3-[4-(diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenolate.
Chemical Property Profile of 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate
Property Insights of 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate
The XLogP value of 2.7308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate. With a topological polar surface area (TPSA) of 57.04 Ų, 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate has 1 hydrogen bond donor(s) and 5 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 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate?
The CAS number of 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate is 5674-66-8.
What is the molecular formula of 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate?
The molecular formula of 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate is C21H22N2O3S2.
What is the molecular weight of 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate?
The molecular weight of 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate is 414.11 g/mol.
Where can I buy 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate?
You can request a quote for 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate?
Yes, KEHONG BIO provides custom synthesis services for 4-({3-[4-(Diethylazaniumyl)phenyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-2-methoxyphenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.