3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one
TL;DR: 3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one (CAS 332406-96-9) is a chemical compound with molecular formula C16H15NOS2 and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00449662, BIM-0024300.P001, AB00088970-01, 3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one, 3-allyl-5-(2-methyl-3-phenyl-2-propenylidene)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C16H15NOS2 |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 4.0201 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.0595 |
| Heavy Atoms | 20 |
| Complexity | 602.1627 |
Chemical Identifiers
| CAS Number | 332406-96-9 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=C/2\C(=O)N(C(=S)S2)CC=C |
Product Overview
3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one (CAS 332406-96-9), with molecular formula C16H15NOS2 and molecular weight 301.06 g/mol. IUPAC: (5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one
Property Insights of 3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one
The XLogP value of 4.0201 indicates that 3-Allyl-5-(2-methyl-3-phenyl-allylidene)-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 20.31 Ų, 3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one has 0 hydrogen bond donor(s) and 3 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-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one?
The CAS number of 3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one is 332406-96-9.
What is the molecular formula of 3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one?
The molecular formula of 3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one is C16H15NOS2.
What is the molecular weight of 3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one?
The molecular weight of 3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one is 301.06 g/mol.
Where can I buy 3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one?
You can request a quote for 3-Allyl-5-(2-methyl-3-phenyl-allylidene)-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 3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-5-(2-methyl-3-phenyl-allylidene)-2-thioxo-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.