![(2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile structure](/static/products/116/1164554-21-5.png)
(2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile
TL;DR: (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile (CAS 1164554-21-5) is a chemical compound with molecular formula C27H29N3O3S and molecular weight 475.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[5-[(4-butylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
Also Known As: (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile, (E)-2-(5-(4-butylbenzyl)-4-oxo-3-phenylthiazolidin-2-ylidene)-3-morpholino-3-oxopropanenitrile, 2-[5-(4-Butyl-benzyl)-4-oxo-3-phenyl-thiazolidin-(2E)-ylidene]-3-morpholin-4-yl-3-oxo-propionitrile
| Molecular Formula | C27H29N3O3S |
|---|---|
| Molecular Weight | 475.19 g/mol |
| LogP | 4.31428 |
| Topological Polar Surface Area | 73.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.19296 |
| Heavy Atoms | 34 |
| Complexity | 1086.3534 |
Chemical Identifiers
| CAS Number | 1164554-21-5 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)CC2C(=O)N(/C(=C(/C#N)\C(=O)N3CCOCC3)/S2)C4=CC=CC=C4 |
Product Overview
(2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile (CAS 1164554-21-5), with molecular formula C27H29N3O3S and molecular weight 475.19 g/mol. IUPAC: (2E)-2-[5-[(4-butylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile.
Chemical Property Profile of (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile
Property Insights of (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile
The XLogP value of 4.31428 indicates that (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile. Following Lipinski's Rule of Five, (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile 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 (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile?
The CAS number of (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile is 1164554-21-5.
What is the molecular formula of (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile?
The molecular formula of (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile is C27H29N3O3S.
What is the molecular weight of (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile?
The molecular weight of (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile is 475.19 g/mol.
Where can I buy (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile?
You can request a quote for (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-[5-(4-butylbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(morpholin-4-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.