(E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate
TL;DR: (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate (CAS 501347-99-5) is a chemical compound with molecular formula C20H20N4O4S2 and molecular weight 444.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(2E)-4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
Also Known As: (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate, ethyl 4-({[(2E)-4-oxo-3-(prop-2-en-1-yl)-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetyl}amino)benzoate, ethyl 4-({[3-allyl-4-oxo-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetyl}amino)benzoate, ethyl 4-[[2-[(2E)-4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetyl]amino]benzoate, ethyl 4-{2-[4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylazamethylene)-1,3-thiazolid in-5-yl]acetylamino}benzoate
| Molecular Formula | C20H20N4O4S2 |
|---|---|
| Molecular Weight | 444.09 g/mol |
| LogP | 3.4661 |
| Topological Polar Surface Area | 100.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.0926 |
| Heavy Atoms | 30 |
| Complexity | 957.6959 |
Chemical Identifiers
| CAS Number | 501347-99-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(/C(=N\C3=NC=CS3)/S2)CC=C |
Product Overview
(E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate (CAS 501347-99-5), with molecular formula C20H20N4O4S2 and molecular weight 444.09 g/mol. IUPAC: ethyl 4-[[2-[(2E)-4-oxo-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-5-yl]acetyl]amino]benzoate.
Chemical Property Profile of (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate
Property Insights of (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate
The XLogP value of 3.4661 indicates that (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate has 1 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 (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate?
The CAS number of (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate is 501347-99-5.
What is the molecular formula of (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate?
The molecular formula of (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate is C20H20N4O4S2.
What is the molecular weight of (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate?
The molecular weight of (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate is 444.09 g/mol.
Where can I buy (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate?
You can request a quote for (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-(2-(3-allyl-4-oxo-2-(thiazol-2-ylimino)thiazolidin-5-yl)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.