(Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one
TL;DR: (Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one (CAS 902331-08-2) is a chemical compound with molecular formula C22H28N2O4S2 and molecular weight 448.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-4-oxobutyl]-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one, (5Z)-3-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-4-oxobutyl]-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-{4-[2-(2-hydroxyethyl)piperidin-1-yl]-4-oxobutyl}-5-(2-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C22H28N2O4S2 |
|---|---|
| Molecular Weight | 448.15 g/mol |
| LogP | 3.4401 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.14905 |
| Heavy Atoms | 30 |
| Complexity | 825.1105 |
Chemical Identifiers
| CAS Number | 902331-08-2 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)N3CCCCC3CCO |
Product Overview
(Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one (CAS 902331-08-2), with molecular formula C22H28N2O4S2 and molecular weight 448.15 g/mol. IUPAC: (5Z)-3-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-4-oxobutyl]-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one
Property Insights of (Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one
The XLogP value of 3.4401 indicates that (Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-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-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one?
The CAS number of (Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one is 902331-08-2.
What is the molecular formula of (Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one?
The molecular formula of (Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one is C22H28N2O4S2.
What is the molecular weight of (Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one?
The molecular weight of (Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one is 448.15 g/mol.
Where can I buy (Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one?
You can request a quote for (Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-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-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(4-(2-(2-hydroxyethyl)piperidin-1-yl)-4-oxobutyl)-5-(2-methoxybenzylidene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.