3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one
TL;DR: 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one (CAS 309936-64-9) is a chemical compound with molecular formula C16H17NO4S2 and molecular weight 351.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-prop-2-enyl-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
Also Known As: BAS 00277088, 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one, (5E)-3-prop-2-enyl-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one, 3-allyl-2-thioxo-5-(2,3,4-trimethoxybenzylidene)-1,3-thiazolidin-4-one, (5E)-3-(prop-2-en-1-yl)-2-thioxo-5-(2,3,4-trimethoxybenzylidene)-1,3-thiazolidin-4-one
| Molecular Formula | C16H17NO4S2 |
|---|---|
| Molecular Weight | 351.06 g/mol |
| LogP | 3.0996 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.0599 |
| Heavy Atoms | 23 |
| Complexity | 684.90295 |
Chemical Identifiers
| CAS Number | 309936-64-9 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC=C)OC)OC |
Product Overview
3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one (CAS 309936-64-9), with molecular formula C16H17NO4S2 and molecular weight 351.06 g/mol. IUPAC: (5E)-3-prop-2-enyl-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one
Property Insights of 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one
The XLogP value of 3.0996 indicates that 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-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 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one?
The CAS number of 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one is 309936-64-9.
What is the molecular formula of 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one?
The molecular formula of 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one is C16H17NO4S2.
What is the molecular weight of 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one?
The molecular weight of 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one is 351.06 g/mol.
Where can I buy 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one?
You can request a quote for 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-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 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-2-thioxo-5-(2,3,4-trimethoxy-benzylidene)-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.