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5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-2-thioxo-thiazolidin-4-one
TL;DR: 5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-2-thioxo-thiazolidin-4-one (CAS 55111-72-3) is a chemical compound with molecular formula C17H11NO3S2 and molecular weight 341.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00331505, J2.489.274C, AB00083719-01, 5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-2-thioxo-thiazolidin-4-one, 5-(1,3-benzodioxol-5-ylmethylene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C17H11NO3S2 |
|---|---|
| Molecular Weight | 341.02 g/mol |
| LogP | 3.8211 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.01804 |
| Heavy Atoms | 23 |
| Complexity | 832.98706 |
Chemical Identifiers
| CAS Number | 55111-72-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)C4=CC=CC=C4 |
Product Overview
5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-2-thioxo-thiazolidin-4-one (CAS 55111-72-3), with molecular formula C17H11NO3S2 and molecular weight 341.02 g/mol. IUPAC: (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-2-thioxo-thiazolidin-4-one
Property Insights of 5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-2-thioxo-thiazolidin-4-one
The XLogP value of 3.8211 indicates that 5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-2-thioxo-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-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-phenyl-2-thioxo-thiazolidin-4-one has 0 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 5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-2-thioxo-thiazolidin-4-one?
The CAS number of 5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-2-thioxo-thiazolidin-4-one is 55111-72-3.
What is the molecular formula of 5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-2-thioxo-thiazolidin-4-one?
The molecular formula of 5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-2-thioxo-thiazolidin-4-one is C17H11NO3S2.
What is the molecular weight of 5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-2-thioxo-thiazolidin-4-one?
The molecular weight of 5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-2-thioxo-thiazolidin-4-one is 341.02 g/mol.
Where can I buy 5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-2-thioxo-thiazolidin-4-one?
You can request a quote for 5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-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-phenyl-2-thioxo-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzo[1,3]dioxol-5-ylmethylene-3-phenyl-2-thioxo-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.