(Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one
TL;DR: (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one (CAS 904509-91-7) 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-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one, 3-{2-[2-(2-Hydroxyethyl)piperidyl]-2-oxoethyl}-5-[(3-methoxyphenyl)methylene]-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-{2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl}-5-(3-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one, 3-{2-[2-(2-hydroxyethyl)piperidyl]-2-oxoethyl}-5-[(3-methoxyphenyl)methylene]- 2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C20H24N2O4S2 |
|---|---|
| Molecular Weight | 420.12 g/mol |
| LogP | 2.6599 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.11774 |
| Heavy Atoms | 28 |
| Complexity | 794.1653 |
Chemical Identifiers
| CAS Number | 904509-91-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)/C=C\2/C(=O)N(C(=S)S2)CC(=O)N3CCCCC3CCO |
Product Overview
(Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one (CAS 904509-91-7), with molecular formula C20H24N2O4S2 and molecular weight 420.12 g/mol. IUPAC: (5Z)-3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one
Property Insights of (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one
The XLogP value of 2.6599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one has 1 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 (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one?
The CAS number of (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one is 904509-91-7.
What is the molecular formula of (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one?
The molecular formula of (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one is C20H24N2O4S2.
What is the molecular weight of (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one?
The molecular weight of (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one is 420.12 g/mol.
Where can I buy (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one?
You can request a quote for (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(2-(2-(2-hydroxyethyl)piperidin-1-yl)-2-oxoethyl)-5-(3-methoxybenzylidene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.