2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate
TL;DR: 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate (CAS 5422-78-6) is a chemical compound with molecular formula C15H19NO3S2 and molecular weight 325.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate
Also Known As: 4-27-00-03631 (Beilstein Handbook Reference), 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate, 3-Benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-2-thiazolidinethione 5-acetate, 2-(3-benzyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate, 2-(3-benzyl-4-hydroxy-4-methyl-2-thioxo-1,3-thiazolidin-5-yl)ethyl acetate
| Molecular Formula | C15H19NO3S2 |
|---|---|
| Molecular Weight | 325.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 325.08063 |
| Heavy Atoms | 21 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 5422-78-6 |
|---|---|
| SMILES | CC(=O)OCCC1C(N(C(=S)S1)CC2=CC=CC=C2)(C)O |
| InChIKey | YQXUPORCTYPMDO-UHFFFAOYSA-N |
Product Overview
2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate (CAS 5422-78-6), with molecular formula C15H19NO3S2 and molecular weight 325.08 g/mol. IUPAC: 2-(3-benzyl-4-hydroxy-4-methyl-2-sulfanylidene-1,3-thiazolidin-5-yl)ethyl acetate.
Chemical Property Profile of 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate
Property Insights of 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate. Following Lipinski's Rule of Five, 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate 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 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate?
The CAS number of 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate is 5422-78-6.
What is the molecular formula of 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate?
The molecular formula of 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate is C15H19NO3S2.
What is the molecular weight of 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate?
The molecular weight of 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate is 325.08 g/mol.
Where can I buy 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate?
You can request a quote for 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiazolidinethione, 3-benzyl-4-hydroxy-5-(2-hydroxyethyl)-4-methyl-, 5-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.