![5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one structure](/static/products/5854/5854-85-3.webp)
5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one
TL;DR: 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one (CAS 5854-85-3) is a chemical compound with molecular formula C14H13NO4S2 and molecular weight 323.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00664847, AB00099396-01, 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one, 5-(1,3-benzodioxol-5-ylmethylene)-3-(2-methoxyethyl)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C14H13NO4S2 |
|---|---|
| Molecular Weight | 323.03 g/mol |
| LogP | 2.2629 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.0286 |
| Heavy Atoms | 21 |
| Complexity | 629.4001 |
Chemical Identifiers
| CAS Number | 5854-85-3 |
|---|---|
| SMILES | COCCN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/SC1=S |
Product Overview
5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one (CAS 5854-85-3), with molecular formula C14H13NO4S2 and molecular weight 323.03 g/mol. IUPAC: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one
Property Insights of 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one
The XLogP value of 2.2629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one. With a topological polar surface area (TPSA) of 48.0 Ų, 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-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 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one?
The CAS number of 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one is 5854-85-3.
What is the molecular formula of 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one?
The molecular formula of 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one is C14H13NO4S2.
What is the molecular weight of 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one?
The molecular weight of 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one is 323.03 g/mol.
Where can I buy 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one?
You can request a quote for 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-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 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzo[1,3]dioxol-5-ylmethylene-3-(2-methoxy-ethyl)-2-thioxo-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.