![(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one structure](/static/products/681/681832-62-2.png)
(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
TL;DR: (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 681832-62-2) is a chemical compound with molecular formula C20H24N2O4S2 and molecular weight 420.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, F1063-0181, (Z)-3-(2-(azepan-1-yl)-2-oxoethyl)-5-(3,4-dimethoxybenzylidene)-2-thioxothiazolidin-4-one, 3-(2-azaperhydroepinyl-2-oxoethyl)-5-[(3,4-dimethoxyphenyl)methylene]-2-thioxo -1,3-thiazolidin-4-one
| Molecular Formula | C20H24N2O4S2 |
|---|---|
| Molecular Weight | 420.12 g/mol |
| LogP | 3.3076 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.11774 |
| Heavy Atoms | 28 |
| Complexity | 801.39545 |
Chemical Identifiers
| CAS Number | 681832-62-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)N3CCCCCC3)OC |
Product Overview
(5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 681832-62-2), with molecular formula C20H24N2O4S2 and molecular weight 420.12 g/mol. IUPAC: (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Property Insights of (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
The XLogP value of 3.3076 indicates that (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 6 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 (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The CAS number of (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is 681832-62-2.
What is the molecular formula of (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The molecular formula of (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is C20H24N2O4S2.
What is the molecular weight of (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The molecular weight of (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is 420.12 g/mol.
Where can I buy (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
You can request a quote for (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.