![(2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one structure](/static/products/302/302950-93-2.png)
(2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one
TL;DR: (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one (CAS 302950-93-2) is a chemical compound with molecular formula C18H16N4O3S2 and molecular weight 400.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one
Also Known As: (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one, (2E,5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-3-(prop-2-en-1-yl)-1,3-thiazolidin-4-one, (2E,5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one, 5-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethylene)-2-[(5-ethyl(1,3,4-thiadiazol-2-y l))azamethylene]-3-prop-2-enyl-1,3-thiazolidin-4-one
| Molecular Formula | C18H16N4O3S2 |
|---|---|
| Molecular Weight | 400.07 g/mol |
| LogP | 3.6192 |
| Topological Polar Surface Area | 76.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.06638 |
| Heavy Atoms | 27 |
| Complexity | 967.26636 |
Chemical Identifiers
| CAS Number | 302950-93-2 |
|---|---|
| SMILES | CCC1=NN=C(S1)/N=C/2\N(C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/S2)CC=C |
Product Overview
(2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one (CAS 302950-93-2), with molecular formula C18H16N4O3S2 and molecular weight 400.07 g/mol. IUPAC: (2E,5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)imino]-3-prop-2-enyl-1,3-thiazolidin-4-one.
Chemical Property Profile of (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one
Property Insights of (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one
The XLogP value of 3.6192 indicates that (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one. Following Lipinski's Rule of Five, (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one has 0 hydrogen bond donor(s) and 8 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 (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one?
The CAS number of (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one is 302950-93-2.
What is the molecular formula of (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one?
The molecular formula of (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one is C18H16N4O3S2.
What is the molecular weight of (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one?
The molecular weight of (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one is 400.07 g/mol.
Where can I buy (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one?
You can request a quote for (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)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 (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (2E,5E)-3-allyl-5-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-ethyl-1,3,4-thiadiazol-2-yl)imino)thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.